p-Chlorophenylacetic acid ethyl ester

C₁₀H₁₁ClO₂CAS 14062-24-9198.65 g/mol

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Aryl halide Ester

Properties

Molecular formula: C₁₀H₁₁ClO₂
Molar mass: 198.65 g/mol
Exact mass: 198.0448 Da
Melting point: 32–34 °C
Boiling point: 134–135 °C (at 15 Torr)
logP: 2.45Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

14062-24-9

SMILES

CCOC(=O)Cc1ccc(Cl)cc1

InChIKey

UTWBWFXECVFDPZ-UHFFFAOYSA-N

InChI

InChI=1S/C10H11ClO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3

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Names and synonyms

10 names

Benzeneacetic acid, 4-chloro-, ethyl ester
Acetic acid, (p-chlorophenyl)-, ethyl ester
Ethyl (4-chlorophenyl)acetate
Ethyl (p-chlorophenyl)acetate
Ethyl 4-chlorobenzeneacetate
NSC 368009
(4-Chlorophenyl)acetic acid ethyl ester
4-Chlorobenzeneacetic acid ethyl ester
2-(4-Chlorophenyl)acetic acid ethyl ester
Ethyl 2-(4-chlorophenyl)acetate

Work with p-Chlorophenylacetic acid ethyl ester

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

Ethyl p-tolylacetate14062-19-268 % similar Ethyl 2-(4-bromophenyl)acetate14062-25-066 % similar Ethyl 4-hydroxyphenylacetate17138-28-266 % similar Methyl 4-chlorobenzeneacetate52449-43-165 % similar Ethyl p-methoxyphenylacetate14062-18-164 % similar Ethyl 4-pyridineacetate54401-85-363 % similar Ethyl p-nitrophenylacetate5445-26-157 % similar Ethyl 4-chlorobenzoate7335-27-556 % similar

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

Same formula

Ethyl 4-chloromethylbenzoate1201-90-7 Ethyl α-chlorobenzeneacetate4773-33-5 Ethyl m-(chloromethyl)benzoate54589-54-7 4-Chloro-α,α-dimethylbenzeneacetic acid6258-30-6

Elsewhere

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