3-Bromo-4-hydroxyphenylacetic acid

C₈H₇BrO₃CAS 38692-80-7231.04 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Phenol

Properties

Molecular formula: C₈H₇BrO₃
Molar mass: 231.04 g/mol
Exact mass: 229.9579 Da
Melting point: 107 °C
logP: 1.78Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Identifiers

CAS number

38692-80-7

SMILES

O=C(O)Cc1ccc(O)c(Br)c1

InChIKey

BFVCOQXPSXVGPS-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Benzeneacetic acid, 3-bromo-4-hydroxy-
Acetic acid, (3-bromo-4-hydroxyphenyl)-
3-Bromo-4-hydroxybenzeneacetic acid
2-(3-Bromo-4-hydroxyphenyl)acetic acid

Work with 3-Bromo-4-hydroxyphenylacetic 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-Dihydroxyphenylacetic acid102-32-970 % similar 3-Chloro-4-hydroxyphenylacetic acid33697-81-367 % similar 3-Fluoro-4-hydroxybenzeneacetic acid458-09-364 % similar Homovanillic acid306-08-157 % similar 1,4-Benzenediacetic acid7325-46-455 % similar 4-Hydroxy-3-nitrophenylacetic acid10463-20-455 % similar 3-Ethoxy-4-hydroxybenzeneacetic acid80018-50-455 % similar 4-Bromophenylacetic acid1878-68-854 % similar

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

Same formula

Methyl 4-bromo-3-hydroxybenzoate106291-80-9 2-(4-Bromophenoxy)acetic acid1878-91-7 2-Bromo-5-methoxybenzoic acid22921-68-2 5-Bromo-2-methoxybenzoic acid2476-35-9 2-Bromo-5-hydroxy-4-methoxybenzaldehyde2973-59-3 5-Bromovanillin2973-76-4 5-Bromo-2-hydroxybenzoic acid methyl ester4068-76-2 4-Bromomandelic acid6940-50-7

Elsewhere

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