chempirical

(2-Chlorophenyl)acetic acid

C8H7ClO2CAS 2444-36-2170.59 g/mol

Open in Covalent MOL file
OHOCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C8H7ClO2
Molar mass
170.59 g/mol
Exact mass
170.0135 Da
Melting point
93–94 °C
logP
1.97Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
2444-36-2
SMILES
O=C(O)Cc1ccccc1Cl
InChIKey
IUJAAIZKRJJZGQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)

Weigh it out

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Names and synonyms

7 names
  • Benzeneacetic acid, 2-chloro-
  • Acetic acid, (o-chlorophenyl)-
  • 2-Chlorobenzeneacetic acid
  • (o-Chlorophenyl)acetic acid
  • 2-(o-Chlorophenyl)ethanoic acid
  • NSC 4613
  • o-Chlorobenzeneacetic acid

Work with (2-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

2,3-Dichlorophenylacetic acid10236-60-974 % similar 1,2-Benzenediacetic acid7500-53-070 % similar 3-Chloro-2-fluorobenzeneacetic acid261762-96-370 % similar Diclofenac15307-86-567 % similar 2,4-Dichlorophenylacetic acid19719-28-967 % similar 2,6-Dichlorophenylacetic acid6575-24-267 % similar 2-Chloro-4-fluorobenzeneacetic acid177985-32-963 % similar 1-Naphthaleneacetic acid86-87-361 % 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 4-(Chloromethyl)benzoic acid1642-81-5 3-Methoxybenzoyl chloride1711-05-3 (3-Chlorophenyl)acetic acid1878-65-5 (4-Chlorophenyl)acetic acid1878-66-6

Elsewhere

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