2-(4-Bromophenyl)-2-methylpropanoic acid

C₁₀H₁₁BrO₂CAS 32454-35-6243.10 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₀H₁₁BrO₂
Molar mass: 243.10 g/mol
Exact mass: 241.9942 Da
logP: 2.81Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

32454-35-6

SMILES

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

InChIKey

AKVOQXBQLXOEEF-UHFFFAOYSA-N

InChI

InChI=1S/C10H11BrO2/c1-10(2,9(12)13)7-3-5-8(11)6-4-7/h3-6H,1-2H3,(H,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Benzeneacetic acid, 4-bromo-α,α-dimethyl-
Hydratropic acid, p-bromo-α-methyl-
4-Bromo-α,α-dimethylbenzeneacetic acid
2-(4-Bromophenyl)-2-methylpropionic acid

Work with 2-(4-Bromophenyl)-2-methylpropanoic acid

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-Methyl-2-phenylpropanoic acid826-55-167 % similar 4-Chloro-α,α-dimethylbenzeneacetic acid6258-30-664 % similar 2-(4-Ethylphenyl)-2-methylpropanoic acid1247119-83-060 % similar 4-(2-Hydroxyethyl)-α,α-dimethylbenzeneacetic acid552301-45-858 % similar Methyl 2-(4-bromophenyl)-2-methylpropanoate154825-97-556 % similar 4-Ethyl-3-iodo-α,α-dimethylbenzeneacetic acid1256584-73-247 % similar 1-Bromo-4-tert-butylbenzene3972-65-445 % similar 2,2-Diphenylpropionic acid5558-66-743 % 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

Elsewhere

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