≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice 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.
| Pubchem Sid | 528759990 |
|---|---|
| Canonical Smiles | CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)O)Cl |
| IUPAC Name | 4-acetamido-5-chloro-2-methoxybenzoic acid |
| InChIKey | GOXCIWMHHSVOKW-UHFFFAOYSA-N |
| INCHI | 1S/C10H10ClNO4/c1-5(13)12-8-4-9(16-2)6(10(14)15)3-7(8)11/h3-4H,1-2H3,(H,12,13)(H,14,15) |
| Isomeric SMILES | CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)O)Cl |
| PubChem CID | 10988496 |
| Molecular Weight | 243.65 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acylaminobenzoic acid and derivatives |
| Alternative Parents | O-haloacetanilides O-methoxybenzoic acids and derivatives 3-halobenzoic acids Halobenzoic acids N-acetylarylamines Methoxyanilines Benzoic acids Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Acetamides Secondary carboxylic acid amides Carboxylic acids Organochlorides Hydrocarbon derivatives Organic oxides Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Acylaminobenzoic acid or derivatives - O-haloacetanilide - Haloacetanilide - O-methoxybenzoic acid or derivatives - Acetanilide - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - N-acetylarylamine - Methoxyaniline - Anilide - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organic nitrogen compound - Organochloride - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated. |
| External Descriptors | Not available |
| Molecular Weight | 243.640 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 243.03 Da |
| Monoisotopic Mass | 243.03 Da |
| Topological Polar Surface Area | 75.600 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 284.000 |
| 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 |
A2607164