chempirical

Ethyl α-chlorobenzeneacetate

C10H11ClO2CAS 4773-33-5198.65 g/mol

Open in Covalent MOL file
OOCl
Alkyl halideEster

Properties

Molecular formula
C10H11ClO2
Molar mass
198.65 g/mol
Exact mass
198.0448 Da
Density
1.162 g/mL (at 16.4 °C)
Boiling point
132–133 °C (at 13 Torr)
logP
2.53Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
4773-33-5
SMILES
CCOC(=O)C(Cl)c1ccccc1
InChIKey
XXRLJXZVZZXDPP-UHFFFAOYSA-N
InChI
InChI=1S/C10H11ClO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3

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

Names and synonyms

8 names
  • Benzeneacetic acid, α-chloro-, ethyl ester
  • Acetic acid, chlorophenyl-, ethyl ester
  • Ethyl α-chlorophenylacetate
  • Ethyl chlorophenylacetate
  • Ethyl α-chloro-α-phenylacetate
  • Ethyl 2-chloro-2-phenylacetate
  • α-Chlorobenzeneacetic acid ethyl ester
  • NSC 34191

Work with Ethyl α-chlorobenzeneacetate

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 3-phenylglycidate121-39-167 % similar (-)-Ethyl mandelate10606-72-164 % similar Ethyl α-bromobenzeneacetate2882-19-164 % similar (±)-Ethyl mandelate4358-88-764 % similar (±)-Ethyl mandelate774-40-364 % similar Ethyl D-phenylglycinate hydrochloride17609-48-259 % similar 1,3-Diethyl 2-(phenylmethyl)propanedioate607-81-857 % similar 1,3-Diethyl 2-(2-phenylethyl)propanedioate6628-68-855 % similar

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

Same formula

Ethyl 4-chloromethylbenzoate1201-90-7 p-Chlorophenylacetic acid ethyl ester14062-24-9 Ethyl m-(chloromethyl)benzoate54589-54-7 4-Chloro-α,α-dimethylbenzeneacetic acid6258-30-6

Elsewhere

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