3-Bromo-4-hydroxyphenylacetic acid

C8H7BrO3CAS 38692-80-7231.04 g/mol

Open in Covalent MOL file
OHOOHBr
Aryl halideCarboxylic acidPhenol

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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-Bromo-4-fluorophenylacetic acid194019-11-967 % similar 3-Chloro-4-hydroxyphenylacetic acid33697-81-367 % similar 3-Fluoro-4-hydroxybenzeneacetic acid458-09-364 % similar 2-(4-Bromo-3-fluorophenyl)acetic acid942282-40-862 % similar 3-Bromo-4-methoxyphenylacetic acid774-81-260 % similar Homovanillic acid306-08-157 % similar 1,4-Benzenediacetic acid7325-46-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 4-bromo-3-hydroxybenzoate106291-80-9 3-Bromo-5-methoxybenzoic acid157893-14-6 2-(4-Bromophenoxy)acetic acid1878-91-7 O-Bromophenoxyacetic acid1879-56-7 Methyl 5-bromo-3-hydroxybenzoate192810-12-1 6-Bromo-2-hydroxy-3-methoxybenzaldehyde20035-41-0 2-Bromo-5-methoxybenzoic acid22921-68-2 5-Bromo-2-methoxybenzoic acid2476-35-9

Elsewhere

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