(3-Chlorophenyl)acetic acid

C₈H₇ClO₂CAS 1878-65-5170.59 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₇ClO₂
Molar mass: 170.59 g/mol
Exact mass: 170.0135 Da
Melting point: 78–79.5 °C
logP: 1.97Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

1878-65-5

SMILES

O=C(O)Cc1cccc(Cl)c1

InChIKey

WFPMUFXQDKMVCO-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)

Weigh it out

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

Names and synonyms

6 names

Benzeneacetic acid, 3-chloro-
Acetic acid, (m-chlorophenyl)-
3-Chlorobenzeneacetic acid
(m-Chlorophenyl)acetic acid
2-(3-Chlorophenyl)acetic acid
NSC 87556

Work with (3-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

1,3-Benzenediacetic acid19806-17-875 % similar 3,5-Dichlorobenzeneacetic acid51719-65-470 % similar 3-(3-Chlorophenyl)propanoic acid21640-48-270 % similar 3-Fluorophenylacetic acid331-25-964 % similar 3′-Hydroxyphenylacetic acid621-37-464 % similar (3-Aminophenyl)acetic acid14338-36-462 % similar 3-Bromophenylacetic acid1878-67-762 % similar (3-Methylphenyl)acetic acid621-36-362 % 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 (4-Chlorophenyl)acetic acid1878-66-6 Piperonyl chloride20850-43-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook