1-(4-Chlorophenyl)cyclopropanecarboxylic acid

C₁₀H₉ClO₂CAS 72934-37-3196.63 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₀H₉ClO₂
Molar mass: 196.63 g/mol
Exact mass: 196.0291 Da
Melting point: 154–156 °C
logP: 2.46Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

72934-37-3

SMILES

O=C(O)C1(c2ccc(Cl)cc2)CC1

InChIKey

YAHLWSGIQJATGG-UHFFFAOYSA-N

InChI

InChI=1S/C10H9ClO2/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)

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Names and synonyms

3 names

Cyclopropanecarboxylic acid, 1-(4-chlorophenyl)-
1-(4-Chlorophenyl)-1-cyclopropanecarboxylic acid
NSC 152142

Work with 1-(4-Chlorophenyl)cyclopropanecarboxylic 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-Chlorophenyl)cyclobutanecarboxylic acid50921-39-686 % similar 1-(4-Chlorophenyl)cyclohexanecarboxylic acid58880-37-883 % similar 1-Phenylcyclopropanecarboxylic acid6120-95-269 % similar 4-Chloro-α,α-dimethylbenzeneacetic acid6258-30-661 % similar 1-(4-Methoxyphenyl)cyclopropanecarboxylic acid16728-01-160 % similar 1-Phenylcyclopentanecarboxylic acid77-55-459 % similar 1-Phenylcyclohexanecarboxylic acid1135-67-758 % similar 4-Phenyl-4-piperidinecarboxylic acid3627-45-054 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 3-(4-chlorophenyl)-2-propenoate7560-44-3

Elsewhere

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