≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)I)F)C(CO)C(C)C |
|---|---|
| IUPAC Name | ethyl 7-fluoro-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-iodo-4-oxoquinoline-3-carboxylate |
| InChIKey | VCHTVAKQQUGTTA-OAHLLOKOSA-N |
| INCHI | 1S/C17H19FINO4/c1-4-24-17(23)11-7-20(15(8-21)9(2)3)14-6-12(18)13(19)5-10(14)16(11)22/h5-7,9,15,21H,4,8H2,1-3H3/t15-/m1/s1 |
| Isomeric SMILES | CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)I)F)[C@H](CO)C(C)C |
| PubChem CID | 58801740 |
| Molecular Weight | 447.25 |
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 | Quinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroquinolones |
| Alternative Parents | Haloquinolines Hydroquinolines Pyridinecarboxylic acids Aryl fluorides Aryl iodides Benzenoids Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organofluorides Organoiodides Organonitrogen compounds Primary alcohols Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Aryl fluoride - Aryl halide - Aryl iodide - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organoiodide - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group. |
| External Descriptors | Not available |
| Molecular Weight | 447.240 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 447.034 Da |
| Monoisotopic Mass | 447.034 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 525.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
