3-Bromo-4-methoxyphenylacetic acid

C₉H₉BrO₃CAS 774-81-2245.07 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₉H₉BrO₃
Molar mass: 245.07 g/mol
Exact mass: 243.9735 Da
logP: 2.08Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

774-81-2

SMILES

COC1=C(C=C(C=C1)CC(=O)O)Br

InChIKey

POTVGQUUEQTPNA-UHFFFAOYSA-N

InChI

InChI=1S/C9H9BrO3/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)

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Work with 3-Bromo-4-methoxyphenylacetic 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

(3,4-Dimethoxyphenyl)acetic acid93-40-373 % similar 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-868 % similar 4-Methoxy-3-methylphenylacetic acid4513-73-968 % similar (3-Fluoro-4-methoxyphenyl)acetic acid452-14-268 % similar 3-Bromo-4-hydroxy-5-methoxyphenylacetic acid206559-42-467 % similar 4-(Benzyloxy)-3-bromophenylacetic acid5884-48-064 % similar Homovanillic acid306-08-163 % similar 4-Ethoxy-3-methoxybenzeneacetic acid120-13-863 % similar

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

Same formula

Methyl 4-bromo-2-methoxybenzoate139102-34-4 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

Elsewhere

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