Methyl 2-bromo-5-methoxybenzoate

C₉H₉BrO₃CAS 35450-36-3245.07 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

35450-36-3

SMILES

COC(=O)c1cc(OC)ccc1Br

InChIKey

VRTQLDFCPNVQNT-UHFFFAOYSA-N

InChI

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

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Names and synonyms

3 names

Benzoic acid, 2-bromo-5-methoxy-, methyl ester
m-Anisic acid, 6-bromo-, methyl ester
2-Bromo-5-methoxybenzoic acid methyl ester

Work with Methyl 2-bromo-5-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 2,5-dibromobenzoate57381-43-867 % similar Methyl 2-bromo-5-methylbenzoate90971-88-365 % similar 2-Bromo-5-methoxybenzoic acid22921-68-263 % similar 2-Bromo-5-methoxybenzoyl chloride56658-04-963 % similar Methyl 2-bromo-5-fluorobenzoate6942-39-863 % similar Methyl 2,4-dimethoxybenzoate2150-41-662 % similar Methyl 2-bromobenzoate610-94-660 % similar Methyl 4-methoxysalicylate5446-02-659 % similar

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

Same formula

Methyl 4-bromo-2-methoxybenzoate139102-34-4 4-Bromo-3,5-dimethoxybenzaldehyde31558-40-4 6-Bromoveratraldehyde5392-10-9 2-Bromo-4-methoxybenzeneacetic acid66916-99-2 3-Bromo-4,5-dimethoxybenzaldehyde6948-30-7

Elsewhere

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