3-Bromo-4-hydroxybenzoic acid

C₇H₅BrO₃CAS 14348-41-5217.02 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Phenol

Properties

Molecular formula: C₇H₅BrO₃
Molar mass: 217.02 g/mol
Exact mass: 215.9422 Da
Melting point: 177 °C
logP: 1.85Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed97.6% of notifiers
H318 Causes serious eye damage97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number

14348-41-5

SMILES

O=C(O)c1ccc(O)c(Br)c1

InChIKey

XMEQDAIDOBVHEK-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)

Weigh it out

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

Names and synonyms

2 names

Benzoic acid, 3-bromo-4-hydroxy-
m-Bromo-p-hydroxybenzoic acid

Work with 3-Bromo-4-hydroxybenzoic 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-Dibromobenzoic acid619-03-470 % similar Protocatechuic acid99-50-367 % similar Bromoterephthalic acid586-35-666 % similar 3,5-Dibromo-4-hydroxybenzoic acid3337-62-065 % similar 3-Chloro-4-hydroxybenzoic acid3964-58-764 % similar 3-Bromo-4-formylbenzoic acid91760-66-663 % similar 4-Hydroxyisophthalic acid636-46-463 % similar 3-Bromo-4-fluorobenzoic acid1007-16-562 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-5-hydroxybenzoic acid140472-69-1 4-Bromo-3-hydroxybenzoic acid14348-38-0 4-Bromo-2-hydroxybenzoic acid1666-28-0 2-Bromo-5-hydroxybenzoic acid58380-11-3 5-Bromosalicylic acid89-55-4

Elsewhere

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