3-(2-Bromo-phenyl)-propionic acid ethyl ester

C₁₁H₁₃BrO₂CAS 135613-33-1257.13 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₁H₁₃BrO₂
Molar mass: 257.13 g/mol
Exact mass: 256.0099 Da
logP: 2.94Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Identifiers

CAS number

135613-33-1

SMILES

CCOC(=O)CCC1=CC=CC=C1Br

InChIKey

ZKICRDRBPPOQLM-UHFFFAOYSA-N

InChI

InChI=1S/C11H13BrO2/c1-2-14-11(13)8-7-9-5-3-4-6-10(9)12/h3-6H,2,7-8H2,1H3

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Names and synonyms

1 names

Ethyl 3-(2-bromophenyl)propanoate

Work with 3-(2-Bromo-phenyl)-propionic 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 3-phenylpropanoate2021-28-564 % similar Ethyl 2-furanpropanoate10031-90-052 % similar 3-(2-Bromophenyl)propionic acid15115-58-951 % similar Ethyl 3-phenoxypropionate22409-91-251 % similar Ethyl 4-hydroxyhydrocinnamate23795-02-051 % similar o-Tolylacetic acid ethyl ester40291-39-251 % similar Ethyl 1-naphthylacetate2122-70-550 % similar Ethyl 2-bromobenzoate6091-64-150 % similar

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

Same formula

Methyl 2-(4-bromophenyl)-2-methylpropanoate154825-97-5 2-(4-Bromophenoxy)tetrahydro-2H-pyran36603-49-3 3-(4-Bromophenyl)propionic acid ethyl ester40640-98-0

Elsewhere

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