Ethyl 4-bromo-3-methylbenzoate

C₁₀H₁₁BrO₂CAS 160313-69-9243.10 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: 2.93Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

160313-69-9

SMILES

CCOC(=O)c1ccc(Br)c(C)c1

InChIKey

GIGDAWLJINYIFV-UHFFFAOYSA-N

InChI

InChI=1S/C10H11BrO2/c1-3-13-10(12)8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3

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Names and synonyms

2 names

Benzoic acid, 4-bromo-3-methyl-, ethyl ester
4-Bromo-3-methylbenzoic acid ethyl ester

Work with Ethyl 4-bromo-3-methylbenzoate

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

Diethyl terephthalate636-09-959 % similar Ethyl 4-bromobenzoate5798-75-458 % similar Ethyl 3-bromobenzoate24398-88-757 % similar 1,3-Diethyl 1,3-benzenedicarboxylate636-53-357 % similar Ethyl 4-methylbenzoate94-08-655 % similar Ethyl protocatechuate3943-89-355 % similar 4-Bromo-3-methylbenzamide170229-98-854 % similar Ethyl 4-iodobenzoate51934-41-954 % 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-bromomethylbenzoate26496-94-6 Ethyl α-bromobenzeneacetate2882-19-1 2-(4-Bromophenyl)-2-methylpropanoic acid32454-35-6

Elsewhere

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