2-Amino-4-bromo-5-chlorobenzoic acid

C₇H₅BrClNO₂CAS 150812-32-1250.48 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₇H₅BrClNO₂
Molar mass: 250.48 g/mol
Exact mass: 248.9192 Da
logP: 2.38Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

150812-32-1

SMILES

Nc1cc(Br)c(Cl)cc1C(=O)O

InChIKey

QLUCPCIKLHKGRW-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrClNO2/c8-4-2-6(10)3(7(11)12)1-5(4)9/h1-2H,10H2,(H,11,12)

Weigh it out

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

Names and synonyms

2 names

Benzoic acid, 2-amino-4-bromo-5-chloro-
4-Bromo-5-chloroanthranilic acid

Work with 2-Amino-4-bromo-5-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

2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-156 % similar 4,5-Dichlorophthalic acid56962-08-456 % similar 4-Amino-5-chloro-2-methoxybenzoic acid7206-70-455 % similar 3-Amino-4-chlorobenzoic acid2840-28-053 % similar 2-Amino-5-bromobenzoic acid5794-88-753 % similar 2-Amino-5-chlorobenzoic acid635-21-253 % similar 2,5-Dibromo-1,4-benzenedicarboxylic acid13731-82-352 % similar 4-Amino-5-chloro-2-ethoxybenzoic acid108282-38-850 % similar

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

Same formula

5-Bromo-3-chloro-2-pyridinecarboxylic acid methyl ester1214336-41-0 Methyl 5-bromo-2-chloronicotinate78686-79-0 Methyl 5-bromo-2-chloro-4-pyridinecarboxylate886365-28-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook