Methyl 3-(4-bromophenyl)propanoate

C₁₀H₁₁BrO₂CAS 75567-84-9243.10 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

75567-84-9

SMILES

COC(=O)CCC1=CC=C(C=C1)Br

InChIKey

FKPYNBFWCSTPOT-UHFFFAOYSA-N

InChI

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

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Work with Methyl 3-(4-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 (4-bromophenyl)acetate41841-16-172 % similar Methyl 3-(4-hydroxyphenyl)propionate5597-50-270 % similar 3-(4-Bromophenyl)propionic acid ethyl ester40640-98-066 % similar Methyl 3-phenylpropionate103-25-366 % similar Methyl 3-(4-methoxyphenyl)propanoate15823-04-865 % similar Methyl 3-(2-bromophenyl)propanoate66191-86-457 % similar 3-(4-Bromophenyl)propionic acid1643-30-751 % similar Methyl 2-(3-bromophenyl)acetate150529-73-051 % 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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