(4-Chlorophenyl)acetic acid

C₈H₇ClO₂CAS 1878-66-6170.59 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: 105–108 °C
logP: 1.97Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

1878-66-6

SMILES

O=C(O)Cc1ccc(Cl)cc1

InChIKey

CDPKJZJVTHSESZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)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

8 names

Benzeneacetic acid, 4-chloro-
Acetic acid, (p-chlorophenyl)-
4-Chlorobenzeneacetic acid
(p-Chlorophenyl)acetic acid
2-(p-Chlorophenyl)acetic acid
PCPA
2-(4-Chlorophenyl)acetic acid
NSC 14285

Work with (4-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

1,4-Benzenediacetic acid7325-46-475 % similar 3,5-Dichlorobenzeneacetic acid51719-65-466 % similar 4-Hydroxyphenylacetic acid156-38-762 % similar 4-Aminophenylacetic acid1197-55-360 % similar 4-(Bromomethyl)phenylacetic acid13737-36-560 % similar 4-Iodophenylacetic acid1798-06-760 % similar 4-Bromophenylacetic acid1878-68-860 % similar 4-Mercaptophenylacetic acid39161-84-760 % 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 Piperonyl chloride20850-43-5

Elsewhere

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