Methyl 3-(2-bromophenyl)propanoate

C₁₀H₁₁BrO₂CAS 66191-86-4243.10 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₀H₁₁BrO₂
Molar mass: 243.10 g/mol
Exact mass: 241.9942 Da
logP: 2.55Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

66191-86-4

SMILES

COC(=O)CCC1=CC=CC=C1Br

InChIKey

NIULOVGPRAJIJM-UHFFFAOYSA-N

InChI

InChI=1S/C10H11BrO2/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3

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Work with Methyl 3-(2-bromophenyl)propanoate

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

Methyl 2-(2-bromophenyl)acetate57486-69-871 % similar 3-(2-Bromo-phenyl)-propionic acid ethyl ester135613-33-168 % similar Methyl 3-phenylpropionate103-25-362 % similar Methyl 3-(4-bromophenyl)propanoate75567-84-957 % similar 3-(2-Bromophenyl)propionic acid15115-58-954 % similar Dihydrocoumarin119-84-650 % similar Methyl 3-(4-methoxyphenyl)propanoate15823-04-849 % similar Methyl 3-benzoylpropionate25333-24-849 % 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 Ethyl α-bromobenzeneacetate2882-19-1 2-(4-Bromophenyl)-2-methylpropanoic acid32454-35-6 4-(4-Bromophenyl)butanoic acid35656-89-4

Elsewhere

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