Alpha-bromo-4-chlorophenylacetic acid

C₈H₆BrClO₂CAS 3381-73-5249.49 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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

3381-73-5

SMILES

C1=CC(=CC=C1C(C(=O)O)Br)Cl

InChIKey

KKOAAWLOOHBFQP-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with Alpha-bromo-4-chlorophenylacetic 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

(R)-2-(4-Chlorophenyl)-2-hydroxyethanoic acid32189-36-961 % similar 2-(4-Chlorophenyl)-3-methylbutyric acid2012-74-057 % similar (S)-3-Amino-3-(4-chloro-phenyl)-propionic acid131690-60-346 % similar (βR)-β-Amino-4-chlorobenzenepropanoic acid131690-61-446 % similar (2R)-2-Amino-3-(4-chlorophenyl)propanoic acid14091-08-846 % similar 2-(4-Chlorophenoxy)propionic acid3307-39-946 % similar 1-(4-Chlorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid39629-87-343 % similar (-)-Baclofen69308-37-840 % similar

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

Same formula

α-Bromo-2-chlorobenzeneacetic acid141109-25-3 4-Bromo-2-chlorobenzoic acid methyl ester185312-82-7 Methyl 2-bromo-5-chlorobenzoate27007-53-0 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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