chempirical

Ethyl α-bromobenzeneacetate

C10H11BrO2CAS 2882-19-1243.10 g/mol

Open in Covalent MOL file
OOBr
Alkyl halideEster

Properties

Molecular formula
C10H11BrO2
Molar mass
243.10 g/mol
Exact mass
241.9942 Da
Density
1.386 g/mL (at 20 °C)
Boiling point
145 °C (at 15 Torr)
logP
2.69Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
2882-19-1
SMILES
CCOC(=O)C(Br)c1ccccc1
InChIKey
BKTKLDMYHTUESO-UHFFFAOYSA-N
InChI
InChI=1S/C10H11BrO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3

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Names and synonyms

14 names · show all
  • Benzeneacetic acid, α-bromo-, ethyl ester
  • Acetic acid, bromophenyl-, ethyl ester
  • α-Bromophenylacetic acid ethyl ester
  • Ethyl α-bromophenylacetate
  • Ethyl bromophenylacetate
  • Ethyl 2-bromo-2-phenylacetate
  • Ethyl 2-bromophenylacetate
  • Ethyl α-bromo-α-phenylacetate
  • DL-α-Bromophenylacetic acid ethyl ester
  • Ethyl (±)-α-bromophenylacetate
  • Ethyl (±)-α-bromobenzeneacetate
  • 2-Bromo-2-phenylacetic acid ethyl ester
  • α-Bromobenzeneacetic acid ethyl ester
  • NSC 38807

Work with Ethyl α-bromobenzeneacetate

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 α-chlorobenzeneacetate4773-33-564 % similar (-)-Ethyl mandelate10606-72-162 % similar (±)-Ethyl mandelate4358-88-762 % similar (±)-Ethyl mandelate774-40-362 % similar Ethyl 3-phenylglycidate121-39-161 % similar Ethyl D-phenylglycinate hydrochloride17609-48-257 % similar 1,3-Diethyl 2-(phenylmethyl)propanedioate607-81-855 % similar 1,3-Diethyl 2-(2-phenylethyl)propanedioate6628-68-854 % similar

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

Same formula

2-(4-Bromomethyl)phenylpropionic acid111128-12-2 Methyl 4-(2-bromoethyl)benzoate136333-97-6 Ethyl 2-(4-bromophenyl)acetate14062-25-0 Ethyl 4-bromo-3-methylbenzoate160313-69-9 Ethyl 4-bromomethylbenzoate26496-94-6 2-(4-Bromophenyl)-2-methylpropanoic acid32454-35-6

Elsewhere

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