5-Amino-2-chlorobenzoic acid

C₇H₆ClNO₂CAS 89-54-3171.58 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: 188 °C
logP: 1.62Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

89-54-3

SMILES

Nc1ccc(Cl)c(C(=O)O)c1

InChIKey

GVCFFVPEOLCYNN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzoic acid, 5-amino-2-chloro-
3-Amino-6-chlorobenzoic acid
NSC 25172
2-Chloro-5-aminobenzoic acid

Work with 5-Amino-2-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

4-Aminophthalic acid5434-21-968 % similar 2,5-Dichlorobenzoic acid50-79-366 % similar 2-Chloro-5-hydroxybenzoic acid56961-30-962 % similar 5-Aminosalicylic acid89-57-662 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-160 % similar 2-Chloro-5-iodobenzoic acid19094-56-560 % similar 5-Bromo-2-chlorobenzoic acid21739-92-460 % similar 2-Chloro-5-fluorobenzoic acid2252-50-860 % 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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