chempirical

Ethyl 2-(4-bromophenyl)acetate

C10H11BrO2CAS 14062-25-0243.10 g/mol

Open in Covalent MOL file
OOBr
Aryl halideEster

Properties

Molecular formula
C10H11BrO2
Molar mass
243.10 g/mol
Exact mass
241.9942 Da
Melting point
30 °C
Boiling point
142–144 °C (at NaN Torr)
logP
2.55Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
14062-25-0
SMILES
CCOC(=O)Cc1ccc(Br)cc1
InChIKey
ZFDCWHPNBWPPHG-UHFFFAOYSA-N
InChI
InChI=1S/C10H11BrO2/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

6 names
  • Benzeneacetic acid, 4-bromo-, ethyl ester
  • Acetic acid, (p-bromophenyl)-, ethyl ester
  • Ethyl 4-bromophenyl acetate
  • Ethyl 4-bromobenzeneacetate
  • Ethyl (p-bromophenyl)acetate
  • (4-Bromophenyl)acetic acid ethyl ester

Work with Ethyl 2-(4-bromophenyl)acetate

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

3-(4-Bromophenyl)propionic acid ethyl ester40640-98-074 % similar Ethyl 4-hydroxyphenylacetate17138-28-271 % similar Ethyl p-tolylacetate14062-19-268 % similar Ethyl phenylacetate101-97-367 % similar p-Chlorophenylacetic acid ethyl ester14062-24-966 % similar Methyl (4-bromophenyl)acetate41841-16-165 % similar Ethyl p-methoxyphenylacetate14062-18-164 % similar Ethyl 4-pyridineacetate54401-85-363 % 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 4-bromo-3-methylbenzoate160313-69-9 Ethyl 4-bromomethylbenzoate26496-94-6 Ethyl α-bromobenzeneacetate2882-19-1 2-(4-Bromophenyl)-2-methylpropanoic acid32454-35-6

Elsewhere

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