4-Bromo-3,5-dihydroxybenzoic acid

C₇H₅BrO₄CAS 16534-12-6233.02 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Phenol

Properties

Molecular formula: C₇H₅BrO₄
Molar mass: 233.02 g/mol
Exact mass: 231.9371 Da
logP: 1.56Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

16534-12-6

SMILES

O=C(O)c1cc(O)c(Br)c(O)c1

InChIKey

NUTRHYYFCDEALP-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrO4/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2,9-10H,(H,11,12)

Weigh it out

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

Names and synonyms

4 names

Benzoic acid, 4-bromo-3,5-dihydroxy-
α-Resorcylic acid, 4-bromo-
4-Bromo-3,5-resorcylic acid
NSC 151972

Work with 4-Bromo-3,5-dihydroxybenzoic 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

Gallic acid149-91-764 % similar 3,5-Dihydroxy-4-methylbenzoic acid28026-96-260 % similar 4-Bromo-3-hydroxybenzoic acid14348-38-059 % similar Gallic acid monohydrate5995-86-858 % similar 5-Bromo-1,3-benzenedicarboxylic acid23351-91-957 % similar 3,5-Dibromobenzoic acid618-58-657 % similar Protocatechuic acid99-50-357 % similar Trimesic acid554-95-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-2,4-dihydroxybenzoic acid7355-22-8

Elsewhere

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