| Canonical Smiles | C1=CC(=C(C(=C1C(=O)O)N)O)Cl |
|---|---|
| IUPAC Name | 2-amino-4-chloro-3-hydroxybenzoic acid |
| InChIKey | VWEPFJPQZFIOAU-UHFFFAOYSA-N |
| INCHI | 1S/C7H6ClNO3/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,10H,9H2,(H,11,12) |
| Isomeric SMILES | C1=CC(=C(C(=C1C(=O)O)N)O)Cl |
| PubChem CID | 114947 |
| Molecular Weight | 187.58 |
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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 | Hydroxybenzoic acid derivatives |
| Alternative Parents | 4-halobenzoic acids Aminobenzoic acids Halobenzoic acids Benzoic acids o-Aminophenols Aniline and substituted anilines Benzoyl derivatives O-chlorophenols 1-hydroxy-4-unsubstituted benzenoids Chlorobenzenes Aryl chlorides Vinylogous amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Organochlorides Organooxygen compounds Organopnictogen compounds Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminobenzoic acid - Hydroxybenzoic acid - 4-halobenzoic acid or derivatives - Aminobenzoic acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid - 2-chlorophenol - O-aminophenol - 2-halophenol - Aminophenol - Benzoyl - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - Halobenzene - Phenol - Chlorobenzene - Aryl chloride - Aryl halide - Vinylogous amide - Amino acid or derivatives - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organohalogen compound - Primary amine - Organooxygen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups. |
| External Descriptors | Not available |
| Sensitivity | light sensitive |
|---|---|
| Molecular Weight | 187.580 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 187.004 Da |
| Monoisotopic Mass | 187.004 Da |
| Topological Polar Surface Area | 83.600 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 187.000 |
| 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 |
