2-Amino-4-chlorobenzoic acid

C₇H₆ClNO₂CAS 89-77-0171.58 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₇H₆ClNO₂
Molar mass: 171.58 g/mol
Exact mass: 171.0087 Da
Melting point: 232 °C
logP: 1.62Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

89-77-0

SMILES

Nc1cc(Cl)ccc1C(=O)O

InChIKey

JYYLQSCZISREGY-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Benzoic acid, 2-amino-4-chloro-
Anthranilic acid, 4-chloro-
4-Chloroanthranilic acid
4-Chloro-2-aminobenzoic acid
NSC 17188

Work with 2-Amino-4-chlorobenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-5-chlorobenzoic acid635-21-277 % similar 4-Chlorophthalic acid89-20-370 % similar 2,4-Dichlorobenzoic acid50-84-066 % similar Chloramben133-90-465 % similar 4-Chlorosalicylic acid5106-98-964 % similar 2-Amino-4-chlorobenzamide5900-59-464 % similar 2-Aminoterephthalic acid10312-55-763 % similar 2,5-Dichlorobenzoic acid50-79-363 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Nitrobenzyl chloride100-14-1 2-Chloro-4-nitrotoluene121-86-8 1-Chloro-2-methyl-4-nitrobenzene13290-74-9 2-Amino-6-chlorobenzoic acid2148-56-3 3-Amino-5-chlorobenzoic acid21961-30-8 4-Amino-2-chlorobenzoic acid2457-76-3 4-Amino-3-chlorobenzoic acid2486-71-7 3-Amino-4-chlorobenzoic acid2840-28-0

Elsewhere

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