5-Bromo-2,4-dihydroxybenzoic acid

C₇H₅BrO₄CAS 7355-22-8233.02 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
Melting point: 204 °C
logP: 1.56Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number

7355-22-8

SMILES

O=C(O)c1cc(Br)c(O)cc1O

InChIKey

ZRBCISXJLHZOMS-UHFFFAOYSA-N

InChI

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

5 names

Benzoic acid, 5-bromo-2,4-dihydroxy-
β-Resorcylic acid, 5-bromo-
2,4-Dihydroxy-5-bromobenzoic acid
NSC 60106
5-Bromo-4-hydroxysalicylic acid

Work with 5-Bromo-2,4-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

2,5-Dihydroxyterephthalic acid610-92-467 % similar 2,5-Dibromo-1,4-benzenedicarboxylic acid13731-82-364 % similar 4-Bromo-3-hydroxybenzoic acid14348-38-056 % similar 3-Bromo-4-hydroxybenzoic acid14348-41-556 % similar 4-Bromo-2-hydroxybenzoic acid1666-28-056 % similar 5-Bromosalicylic acid89-55-456 % similar 7-Hydroxy-1,4-benzodioxan-6-carboxylic acid197584-99-954 % similar 3-Hydroxy-2-naphthoic acid92-70-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-3,5-dihydroxybenzoic acid16534-12-6

Elsewhere

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