Chloro(phenyl)acetic acid

C8H7ClO2CAS 4755-72-0170.59 g/mol

Open in Covalent MOL file
OOHCl
Alkyl halideCarboxylic acid

Properties

Molecular formula
C8H7ClO2
Molar mass
170.59 g/mol
Exact mass
170.0135 Da
logP
2.05Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4755-72-0
SMILES
C1=CC=C(C=C1)C(C(=O)O)Cl
InChIKey
QKSGIGXOKHZCQZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)

Weigh it out

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

Names and synonyms

7 names
  • 2-Chloro-2-phenylacetic acid
  • Alpha-CHLOROPHENYLACETIC ACID
  • [R,(-)]-Chlorophenylacetic acid
  • a-Chlorophenylacetic acid
  • 2-Chloro-2-phenyl-acetic acid
  • Alpha-chloro-alpha-phenylacetic acid
  • Chlorophenylacetic acidPhenylchloroacetic acid

Work with Chloro(phenyl)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

Diphenylacetic acid117-34-063 % similar Phenylmalonic acid2613-89-063 % similar (S)-Mandelic acid17199-29-059 % similar (-)-Mandelic acid611-71-259 % similar Mandelic acid611-72-359 % similar Mandelic acid90-64-259 % similar Fluorophenylacetic acid1578-63-857 % similar Phenylglycine2835-06-557 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methoxybenzoyl chloride100-07-2 Methyl 4-chlorobenzoate1126-46-1 4-Chloro-3-methoxybenzaldehyde13726-16-4 5′-Chloro-2′-hydroxyacetophenone1450-74-4 2-Chloro-3-methylbenzoic acid15068-35-6 4-(Chloromethyl)benzoic acid1642-81-5 3-Methoxybenzoyl chloride1711-05-3 (3-Chlorophenyl)acetic acid1878-65-5

Elsewhere

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