chempirical

2-(2-Bromo-5-chlorophenyl)acetic acid

C8H6BrClO2CAS 81682-38-4249.49 g/mol

Open in Covalent MOL file
ClOOHBr
Aryl halideCarboxylic 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 Ų
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
81682-38-4
SMILES
C1=CC(=C(C=C1Cl)CC(=O)O)Br
InChIKey
ZPSZXWVBMOMXED-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrClO2/c9-7-2-1-6(10)3-5(7)4-8(11)12/h1-3H,4H2,(H,11,12)

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Names and synonyms

1 names
  • 2-Bromo-5-chlorophenylacetic acid

Work with 2-(2-Bromo-5-chlorophenyl)acetic 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-Dibromobenzeneacetic acid203314-28-767 % similar 2-(2-Bromo-5-fluorophenyl)acetic acid739336-26-663 % similar 2,4-Dichlorophenylacetic acid19719-28-962 % similar 2-Bromophenylacetic acid18698-97-060 % similar 4-Chloro-2-fluorophenylacetic acid194240-75-059 % similar 2-Bromo-4,5-difluorophenylacetic acid883502-07-654 % similar 5-Chlorobenzo[b]thiophene-3-acetic acid17266-30-753 % similar (4-Chlorophenyl)acetic acid1878-66-653 % 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 Alpha-bromo-4-chlorophenylacetic acid3381-73-5 2-Bromo-4-chlorobenzeneacetic acid52864-56-9 2-Bromo-5-methoxybenzoyl chloride56658-04-9 Methyl 2-bromo-4-chlorobenzoate57381-62-1

Elsewhere

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