Ethyl α,α-dichlorobenzeneacetate

C₁₀H₁₀Cl₂O₂CAS 5317-66-8233.09 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₁₀H₁₀Cl₂O₂
Molar mass: 233.09 g/mol
Exact mass: 232.0058 Da
Boiling point: 156 °C (at 24 Torr)
logP: 2.88Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

5317-66-8

SMILES

CCOC(=O)C(Cl)(Cl)c1ccccc1

InChIKey

XNQDHXMQDHWHRU-UHFFFAOYSA-N

InChI

InChI=1S/C10H10Cl2O2/c1-2-14-9(13)10(11,12)8-6-4-3-5-7-8/h3-7H,2H2,1H3

Weigh it out

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

Names and synonyms

3 names

Benzeneacetic acid, α,α-dichloro-, ethyl ester
Acetic acid, dichlorophenyl-, ethyl ester
Ethyl 2,2-dichloro-2-phenylacetate

Work with Ethyl α,α-dichlorobenzeneacetate

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 2-phenylisobutyrate2901-13-564 % similar Ethyl benzilate52182-15-762 % similar 1,3-Diethyl 2-ethyl-2-phenylpropanedioate76-67-562 % similar Ethyl α-cyano-α-ethylbenzeneacetate718-71-856 % similar Ethyl trichloroacetate515-84-450 % similar Chlorobenzilate510-15-647 % similar Ethyl N,N-diphenylcarbamate603-52-146 % similar Diphenoxylate915-30-046 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook