2-Amino-3-chlorobenzoic acid

C₇H₆ClNO₂CAS 6388-47-2171.58 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: 190 °C
logP: 1.62Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

6388-47-2

SMILES

Nc1c(Cl)cccc1C(=O)O

InChIKey

LWUAMROXVQLJKA-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClNO2/c8-5-3-1-2-4(6(5)9)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

5 names

Benzoic acid, 2-amino-3-chloro-
Anthranilic acid, 3-chloro-
3-Chloroanthranilic acid
3-Chloro-2-aminobenzoic acid
NSC 20671

Work with 2-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

Similar compounds

2,3-Diaminobenzoic acid603-81-666 % similar 3,5-Dichloroanthranilic acid2789-92-665 % similar 2-Amino-3-bromobenzoic acid20776-51-664 % similar 3-Hydroxyanthranilic acid548-93-664 % similar 2,3-Dichlorobenzoic acid50-45-363 % similar 2-Amino-3-iodobenzoic acid20776-55-062 % similar 2-Amino-3-methylbenzoic acid4389-45-162 % similar 3-Chlorosalicylic acid1829-32-961 % 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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