Methyl 2-(4-bromophenyl)-2-methylpropanoate

C₁₁H₁₃BrO₂CAS 154825-97-5257.13 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: 2.90Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

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

154825-97-5

SMILES

COC(=O)C(C)(C)c1ccc(Br)cc1

InChIKey

JTYDXPPFLQSEAQ-UHFFFAOYSA-N

InChI

InChI=1S/C11H13BrO2/c1-11(2,10(13)14-3)8-4-6-9(12)7-5-8/h4-7H,1-3H3

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Names and synonyms

4 names

Benzeneacetic acid, 4-bromo-α,α-dimethyl-, methyl ester
2-(4-Bromophenyl)-2-methylpropionic acid methyl ester
2-(4-Bromophenyl)-2-methylpropanoic acid methyl ester
Methyl 2-(4-bromophenyl)-2-methylpropionate

Work with Methyl 2-(4-bromophenyl)-2-methylpropanoate

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

2-(4-Bromophenyl)-2-methylpropanoic acid32454-35-656 % similar Methyl 4-(4-chloro-1-oxobutyl)-alpha,alpha-dimethylbenzeneacetate154477-54-051 % similar Methyl (4-bromophenyl)acetate41841-16-147 % similar Methyl 4-bromobenzoate619-42-147 % similar Bromopropylate18181-80-144 % similar Methyl 3-(4-bromophenyl)propanoate75567-84-943 % similar 1-Bromo-4-tert-butylbenzene3972-65-442 % similar Ethyl 2-phenylisobutyrate2901-13-541 % similar

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

Same formula

3-(2-Bromo-phenyl)-propionic acid ethyl ester135613-33-1 2-(4-Bromophenoxy)tetrahydro-2H-pyran36603-49-3 3-(4-Bromophenyl)propionic acid ethyl ester40640-98-0

Elsewhere

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