α-Bromo-2-chlorobenzeneacetic acid

C₈H₆BrClO₂CAS 141109-25-3249.49 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₆BrClO₂
Molar mass: 249.49 g/mol
Exact mass: 247.9240 Da
logP: 2.86Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

141109-25-3

SMILES

O=C(O)C(Br)c1ccccc1Cl

InChIKey

XHAPROULWZYBGA-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

7 names

Benzeneacetic acid, α-bromo-2-chloro-
Acetic acid, bromo(o-chlorophenyl)-
(2-Chlorophenyl)bromoacetic acid
α-Bromo-(2-chlorophenyl)acetic acid
2-Bromo-2-(2-chlorophenyl)acetic acid
α-Bromo-α-(2-chlorophenyl)acetic acid
2-Bromo-2-(2′-chlorophenyl) acetic acid

Work with α-Bromo-2-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-Chloromandelic acid10421-85-963 % similar (-)-2-Chloromandelic acid52950-18-263 % similar (S)-2-Chloromandelic acid52950-19-363 % similar (αS)-α-Amino-2-chlorobenzeneacetic acid141315-50-661 % similar Methyl α-bromo-2-chlorobenzeneacetate85259-19-456 % similar Bromophenylacetic acid4870-65-956 % similar β-Amino-2-chlorobenzenepropanoic acid68208-20-849 % similar 2-Chloro-L-phenylalanine103616-89-345 % similar

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

Same formula

α-Bromo-2-chlorobenzeneacetic acid29270-30-2 2-Bromo-4-chlorobenzeneacetic acid52864-56-9 2-Bromo-5-methoxybenzoyl chloride56658-04-9 Methyl 2-bromo-6-chlorobenzoate685892-23-3

Elsewhere

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