Methyl 4-bromo-2-methoxybenzoate

C₉H₉BrO₃CAS 139102-34-4245.07 g/mol

Open in Covalent MOL file

Aryl halide Ester Ether

Properties

Molecular formula: C₉H₉BrO₃
Molar mass: 245.07 g/mol
Exact mass: 243.9735 Da
logP: 2.24Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

139102-34-4

SMILES

COC(=O)c1ccc(Br)cc1OC

InChIKey

WPGAGRPPDYAZAD-UHFFFAOYSA-N

InChI

InChI=1S/C9H9BrO3/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5H,1-2H3

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Names and synonyms

2 names

Benzoic acid, 4-bromo-2-methoxy-, methyl ester
4-Bromo-2-methoxybenzoic acid methyl ester

Work with Methyl 4-bromo-2-methoxybenzoate

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-amino-4-bromobenzoate135484-83-269 % similar Methyl 2,4-dimethoxybenzoate2150-41-667 % similar Methyl 4-fluoro-2-methoxybenzoate204707-42-663 % similar Methyl 4-amino-2-methoxybenzoate27492-84-863 % similar Methyl 2-amino-5-bromobenzoate52727-57-863 % similar Methyl 2,5-dibromobenzoate57381-43-862 % similar Methyl 5-bromo-2-methylbenzoate79669-50-461 % similar Methyl 4-bromo-2-(bromomethyl)benzoate78471-43-960 % similar

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

Same formula

4-Bromo-3,5-dimethoxybenzaldehyde31558-40-4 Methyl 2-bromo-5-methoxybenzoate35450-36-3 6-Bromoveratraldehyde5392-10-9 2-Bromo-4-methoxybenzeneacetic acid66916-99-2 3-Bromo-4,5-dimethoxybenzaldehyde6948-30-7

Elsewhere

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