chempirical

3-Bromo-5-hydroxybenzoic acid

C7H5BrO3CAS 140472-69-1217.02 g/mol

Open in Covalent MOL file
HOBrOOH
Aryl halideCarboxylic acidPhenol

Properties

Molecular formula
C7H5BrO3
Molar mass
217.02 g/mol
Exact mass
215.9422 Da
logP
1.85Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
140472-69-1
SMILES
C1=C(C=C(C=C1O)Br)C(=O)O
InChIKey
WGIBEMRBLBGETQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,(H,10,11)

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Work with 3-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

5-Bromo-1,3-benzenedicarboxylic acid23351-91-973 % similar 3,5-Dibromobenzoic acid618-58-673 % similar 5-Hydroxyisophthalic acid618-83-773 % similar 3-Bromo-5-iodobenzoic acid188815-32-959 % similar 3-Bromo-5-chlorobenzoic acid42860-02-659 % similar 3-Amino-5-hydroxybenzoic acid76045-71-159 % similar 4-Bromobenzoic acid586-76-559 % similar Trimesic acid554-95-054 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

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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