p-Chlorophenylacetic acid ethyl ester

C10H11ClO2CAS 14062-24-9198.65 g/mol

Open in Covalent MOL file
OOCl
Aryl halideEster

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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

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

Weigh it out

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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 phenylacetate101-97-367 % similar Ethyl 2-[4-(dimethylamino)phenyl]acetate17078-29-467 % similar Ethyl 2-(4-bromophenyl)acetate14062-25-066 % similar Ethyl 4-hydroxyphenylacetate17138-28-266 % similar Ethyl 4-aminophenylacetate5438-70-066 % similar Methyl 4-chlorobenzeneacetate52449-43-165 % similar Ethyl 4-methoxyphenylacetate14062-18-164 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 4-chloromethylbenzoate1201-90-7 3-(4-Methoxyphenyl)propionyl chloride15893-42-2 3-Chloro-1-(4-methoxyphenyl)propan-1-one35999-20-3 Ethyl α-chlorobenzeneacetate4773-33-5 Ethyl m-(chloromethyl)benzoate54589-54-7 1-[3-(Chloromethyl)-4-methoxyphenyl]ethan-1-one62581-82-2 4-Chloro-α,α-dimethylbenzeneacetic acid6258-30-6

Elsewhere

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