2-Bromo-5-hydroxybenzoic acid

C₇H₅BrO₃CAS 58380-11-3217.02 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
logP: 1.85Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

58380-11-3

SMILES

C1=CC(=C(C=C1O)C(=O)O)Br

InChIKey

HTCSAMJZDHWTKD-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 2-Bromo-5-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

2,5-Dibromobenzoic acid610-71-971 % similar 4-Hydroxyphthalic acid610-35-567 % similar 4-Bromo-1,3-benzenedicarboxylic acid6939-93-166 % similar Gentisic acid490-79-963 % similar 2,5-Dibromo-1,4-benzenedicarboxylic acid13731-82-362 % similar 2-Bromo-5-chlorobenzoic acid21739-93-562 % similar 2-Bromo-5-iodobenzoic acid25252-00-062 % similar 5-Amino-2-bromobenzoic acid2840-02-062 % 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 3-Bromo-4-hydroxybenzoic acid14348-41-5 4-Bromo-2-hydroxybenzoic acid1666-28-0 5-Bromosalicylic acid89-55-4

Elsewhere

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