≥98% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| パブケム・シド | 488199146 |
|---|---|
| パブケム・シド・ウル | https://pubchem.ncbi.nlm.nih.gov/substance/488199146 |
| カノニカル・スマイル | CC(C)N(C1=CC=C(C=C1)F)C(=O)C(=O)O |
| IUPAC Name | 2-(4-fluoro-N-propan-2-ylanilino)-2-oxoacetic acid |
| InChIKey | FFKNXXCOXIZLJD-UHFFFAOYSA-N |
| INCHI | 1S/C11H12FNO3/c1-7(2)13(10(14)11(15)16)9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H,15,16) |
| 異性体SMILES | CC(C)N(C1=CC=C(C=C1)F)C(=O)C(=O)O |
| PubChem CID | 16212222 |
| 分子量 | 225.22 |
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 | Organic acids and derivatives |
| 分類 | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives |
| Direct Parent | Alpha amino acids and derivatives |
| Alternative Parents | Anilides Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alpha-amino acid or derivatives - Anilide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. |
| External Descriptors | monocarboxylic acid - aromatic amide - monofluorobenzenes |
| 分子量 | 225.220 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 225.08 Da |
| Monoisotopic Mass | 225.08 Da |
| Topological Polar Surface Area | 57.600 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 272.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
| 1. Haichao Li, Deqiang Li, Yuan He, Chaobing Luo, Wu Lan, Arthur J. Ragauskas, Tingting You, Feng Xu. (2025) Unleashing the potential of lignin with innovative trifunctional binary deep eutectic solvent strategy: Isolation of uncondensed lignin. Science Advances, 11 (27): [PMID:40614203] [10.1126/sciadv.adv7299] |
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