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analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 14 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2)F)C(=O)O |
|---|---|
| IUPAC Name | 7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid |
| InChIKey | DPSPPJIUMHPXMA-UHFFFAOYSA-N |
| INCHI | 1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19) |
| Isomeric SMILES | CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2)F)C(=O)O |
| Molecular Weight | 261.25 |
| Reaxy-Rn | 490724 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=490724&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Quinoline carboxylic acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinoline carboxylic acids |
| Alternative Parents | Fluoroquinolones Haloquinolines Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Aryl fluorides Benzenoids Heteroaromatic compounds Vinylogous amides Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoline-3-carboxylic acid - Fluoroquinolone - Dihydroquinolone - Haloquinoline - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Benzenoid - Pyridine - Aryl fluoride - Aryl halide - Vinylogous amide - Heteroaromatic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions. |
| External Descriptors | organofluorine compound - quinolone antibiotic - 3-oxo monocarboxylic acid - pyridoquinoline |
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| Melt Point(°C) | 259 °C |
|---|---|
| Molecular Weight | 261.250 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 261.08 Da |
| Monoisotopic Mass | 261.08 Da |
| Topological Polar Surface Area | 57.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 462.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Xiaoyi Pu, Xin Wang, Youping Liu, Xin Di. (2023) A novel deep eutectic solvent-based ultrasound-assisted dispersive liquid–liquid microextraction coupled with high-performance liquid chromatography for the determination of quinolones in environmental water samples. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2023.109374] |
| 2. Yifan Wu, Xiaoxia Gong, Jianzhong Shen, Kui Zhu. (2023) Postantibiotic leukocyte enhancement-mediated reduction of intracellular bacteria by macrophages. Journal of Advanced Research, [PMID:37290606] [10.1016/j.jare.2023.05.010] |
| 3. Yuanjie Teng, Zhenni Wang, Shaohua Zuo, Xin Li, Yinxin Chen. (2022) Identification of antibiotic residues in aquatic products with surface-enhanced Raman scattering powered by 1-D convolutional neural networks. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, [PMID:36549071] [10.1016/j.saa.2022.122195] |
| 4. Boqiang Gao, Yu Pan, Hu Yang. (2022) Enhanced photo-Fenton degradation of fluoroquinolones in water assisted by a 3D composite sponge complexed with a S-scheme MoS2/Bi2S3/BiVO4 ternary photocatalyst. APPLIED CATALYSIS B-ENVIRONMENTAL, [PMID:] [10.1016/j.apcatb.2022.121580] |
| 5. Boqiang Gao, Koukou Tao, Zhonghua Xi, Mayyada M.H. El-Sayed, Tamer Shoeib, Hu Yang. (2022) Fabrication of 3D lignosulfonate composited sponges impregnated by BiVO4/polyaniline/Ag ternary photocatalyst for synergistic adsorption-photodegradation of fluoroquinolones in water. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2022.137282] |
| 6. Boqiang Gao, Yu Pan, Qianqian Chang, Zhonghua Xi, Hu Yang. (2022) Hierarchically Z-scheme photocatalyst of {0 1 0}BiVO4/Ag/CdS with enhanced performance in synergistic adsorption-photodegradation of fluoroquinolones in water. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2022.134834] |
| 7. Zhe Zhao, Bolong Liang, Menglu Wang, Qi Yang, Ming Su, Shu-xuan Liang. (2021) Microporous carbon derived from hydroxyl functionalized organic network for efficient adsorption of flumequine: Adsorption mechanism and application potentials. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2021.130943] |
| 8. Li Jianwen, Huang Xiangjin, Ma Jinkui, Wei Shoulian, Zhang Huasheng. (2020) A novel electrochemical sensor based on molecularly imprinted polymer with binary functional monomers at Fe-doped porous carbon decorated Au electrode for the sensitive detection of lomefloxacin. IONICS, 26 (8): (4183-4192). [PMID:] [10.1007/s11581-020-03554-0] |
| 9. Sandip Mondal, Jianqiao Xu, Guosheng Chen, Siming Huang, Chuyu Huang, Li Yin, Gangfeng Ouyang. (2018) Solid-phase microextraction of antibiotics from fish muscle by using MIL-101(Cr)NH2-polyacrylonitrile fiber and their identification by liquid chromatography-tandem mass spectrometry. ANALYTICA CHIMICA ACTA, [PMID:30567665] [10.1016/j.aca.2018.09.060] |
| 10. Fengliang Wang, Yiping Feng, Ping Chen, Yingfei Wang, Yuehan Su, Qianxin Zhang, Yongqin Zeng, Zhijie Xie, Haijin Liu, Yang Liu, Wenying Lv, Guoguang Liu. (2018) Photocatalytic degradation of fluoroquinolone antibiotics using ordered mesoporous g-C3N4 under simulated sunlight irradiation: Kinetics, mechanism, and antibacterial activity elimination. APPLIED CATALYSIS B-ENVIRONMENTAL, [PMID:] [10.1016/j.apcatb.2018.01.024] |
| 11. Yijia Tang, Jianqiao Xu, Le Chen, Junlang Qiu, Yuan Liu, Gangfeng Ouyang. (2017) Rapid in vivo determination of fluoroquinolones in cultured puffer fish (Takifugu obscurus) muscle by solid-phase microextraction coupled with liquid chromatography-tandem mass spectrometry. TALANTA, [PMID:28842032] [10.1016/j.talanta.2017.07.066] |
| 12. Xiangwen Chen, Xuan Chen, Juan Pan, Shuqi Deng, Qiubing Qin, Qiang Fu, Jiliang Cao. (2025) Chiral Separation and Molecular Simulation of Five Quinolones on a Bonded Amylose[(S)-α-Methylbenzyl Carbamate] Column (CHIRALPAK IH) and the Elucidation of Its Recognition Mechanism. CHIRALITY, 37 (8): (e70050). [PMID:40678879] [10.1002/chir.70050] |
| 13. Jintao Yi, Nani Fu, Anqi Li, Ping Yan, Hui Pan, Xiulong Deng, Jun Xue, Xun Li. (2025) Fluorescent Determination of Flumequine Using a Novel Tryptophan (Trp)—Zeolitic Imidazolate Framework-8 (ZIF-8)—Terbium (III) Visual Probe. ANALYTICAL LETTERS, [PMID:] [10.1080/00032719.2025.2530052] |
| 14. Shuyuan Guo, Miao Liu, Hanlin Liu, Jingru Mao, Yongfeng Zou, Li-Peng Sun, Yan Huang, Dandan Sun, Jie Ma. (2025) A reflective microfiber biosensor for monitoring of trace flumequine residues enhanced by europium-incorporated covalent organic framework. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2025.114929] |
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