2-Bromo-4-chlorobenzeneacetic acid

C₈H₆BrClO₂CAS 52864-56-9249.49 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₆BrClO₂
Molar mass: 249.49 g/mol
Exact mass: 247.9240 Da
logP: 2.73Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

52864-56-9

SMILES

O=C(O)Cc1ccc(Cl)cc1Br

InChIKey

BWAQWLHENYXBOQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrClO2/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H,11,12)

Weigh it out

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

Names and synonyms

3 names

Benzeneacetic acid, 2-bromo-4-chloro-
(2-Bromo-4-chlorophenyl)acetic acid
2-(2-Bromo-4-chlorophenyl)acetic acid

Work with 2-Bromo-4-chlorobenzeneacetic 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

2,4-Dichlorophenylacetic acid19719-28-967 % similar 2-Bromo-4-fluorobenzeneacetic acid61150-59-263 % similar 2-Bromophenylacetic acid18698-97-060 % similar 2-Bromo-4-methoxybenzeneacetic acid66916-99-259 % similar (4-Chlorophenyl)acetic acid1878-66-657 % similar 2,5-Dibromobenzeneacetic acid203314-28-754 % similar 5-Chlorobenzo[B]thiophene-3-acetic acid17266-30-753 % similar (3-Chlorophenyl)acetic acid1878-65-553 % similar

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

Same formula

α-Bromo-2-chlorobenzeneacetic acid141109-25-3 α-Bromo-2-chlorobenzeneacetic acid29270-30-2 2-Bromo-5-methoxybenzoyl chloride56658-04-9 Methyl 2-bromo-6-chlorobenzoate685892-23-3

Elsewhere

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