4-Amino-3-chlorobenzoic acid

C₇H₆ClNO₂CAS 2486-71-7171.58 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: 225.5–227 °C
logP: 1.62Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

2486-71-7

SMILES

Nc1ccc(C(=O)O)cc1Cl

InChIKey

YIYBPEDZAUFQLO-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

3 names

NSC 212132
Benzoic acid, 4-amino-3-chloro-
3-Chloro-4-aminobenzoic acid

Work with 4-Amino-3-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

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 3-Amino-4-chlorobenzoic acid2840-28-0 2-Chloro-6-methylnicotinic acid30529-70-5

Elsewhere

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