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

Danger

H302 Harmful if swallowed98.5% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage42.6% of notifiers

Aggregated from 68 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501

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

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

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

Bromo(phenyl)acetic acid4870-65-965 % similar (R)-2-(4-Chlorophenyl)-2-hydroxyethanoic acid32189-36-961 % similar 4-Chloromandelic acid492-86-461 % similar 4-Chloromandelic acid7138-34-361 % similar α-Amino-4-chlorobenzeneacetic acid6212-33-559 % similar (2S)-2-Amino-2-(4-chlorophenyl)acetic acid67336-19-059 % similar α-Amino-4-chlorobenzeneacetic acid7292-70-859 % similar DL-2-(4-chlorophenyl)propanoic acid938-95-459 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Alpha-Bromo-2-chlorobenzeneacetic acid141109-25-3 4-Bromo-2-chlorobenzoic acid methyl ester185312-82-7 Methyl 2-bromo-5-chlorobenzoate27007-53-0 Alpha-Bromo-2-chlorobenzeneacetic acid29270-30-2 2-Bromo-4-chlorophenylacetic acid52864-56-9 2-Bromo-5-methoxybenzoyl chloride56658-04-9 Methyl 2-bromo-4-chlorobenzoate57381-62-1 3'-Bromo-5'-chloro-2'-hydroxyacetophenone59443-15-1

Elsewhere

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