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

Hazards

Danger

H301 Toxic if swallowed90.9% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

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 Benzoic acid,4-bromo-2-methyl-,methyl ester99548-55-765 % similar 4-Bromo-2-fluoro-benzoic acid methyl ester179232-29-263 % similar 4-Bromo-2-chlorobenzoic acid methyl ester185312-82-763 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-5-ethoxy-4-hydroxybenzaldehyde3111-37-3 4-Bromo-3,5-dimethoxybenzaldehyde31558-40-4 4-Bromo-2,5-dimethoxybenzaldehyde31558-41-5 Methyl 2-bromo-5-methoxybenzoate35450-36-3 Methyl 3-bromo-4-methoxybenzoate35450-37-4 6-Bromoveratraldehyde5392-10-9 2-Bromo-1-(4-hydroxy-3-(hydroxymethyl)phenyl)ethan-1-one62932-94-9 2-Bromo-4-methoxybenzeneacetic acid66916-99-2

Elsewhere

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