3-Bromo-4-hydroxy-5-methoxyphenylacetic acid

C₉H₉BrO₄CAS 206559-42-4261.07 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether Phenol

Properties

Molecular formula: C₉H₉BrO₄
Molar mass: 261.07 g/mol
Exact mass: 259.9684 Da
logP: 1.79Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 2 / 3
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

206559-42-4

SMILES

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

InChIKey

RKJWTDZZELJFSC-UHFFFAOYSA-N

InChI

InChI=1S/C9H9BrO4/c1-14-7-3-5(4-8(11)12)2-6(10)9(7)13/h2-3,13H,4H2,1H3,(H,11,12)

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Work with 3-Bromo-4-hydroxy-5-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

3,5-Dimethoxy-4-hydroxyphenylacetic acid4385-56-278 % similar 3-Bromo-4-methoxyphenylacetic acid774-81-267 % similar 3,4,5-Trimethoxyphenylacetic acid951-82-663 % similar 2-Bromo-4,5-dimethoxyphenylacetic acid4697-62-558 % similar (3,4-Dimethoxyphenyl)acetic acid93-40-357 % similar Homovanillic acid306-08-157 % similar 3-Bromo-4-hydroxy-5-methoxyphenylacetonitrile81038-44-056 % similar (3,5-Dimethoxyphenyl)acetic acid4670-10-454 % similar

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

Same formula

4-Bromo-3,5-dimethoxybenzoic acid56518-42-4 2-Bromo-4,5-dimethoxybenzoic acid6286-46-0 3-Bromo-2,6-dimethoxybenzoic acid73219-89-3

Elsewhere

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