chempirical

3,5-Dibromo-4-hydroxybenzoic acid

C7H4Br2O3CAS 3337-62-0295.91 g/mol

Open in Covalent MOL file
OHOBrOHBr
Aryl halideCarboxylic acidPhenol

Properties

Molecular formula
C7H4Br2O3
Molar mass
295.91 g/mol
Exact mass
293.8527 Da
Melting point
268 °C
logP
2.62Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
3337-62-0
SMILES
O=C(O)c1cc(Br)c(O)c(Br)c1
InChIKey
PHWAJJWKNLWZGJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H4Br2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)

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Names and synonyms

5 names
  • Benzoic acid, 3,5-dibromo-4-hydroxy-
  • Bromoxynilbenzoic acid
  • Bromoxynil acid
  • NSC 21184
  • 3,5-Dibromo p-hydroxy benzoic acid

Work with 3,5-Dibromo-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-Bromo-4-hydroxybenzoic acid14348-41-565 % similar 3,5-Dibromo-4-methylbenzoic acid67973-32-463 % similar Gallic acid149-91-759 % similar 3′,5′-Dibromo-4′-hydroxyacetophenone2887-72-158 % similar 5-Bromo-1,3-benzenedicarboxylic acid23351-91-957 % similar 3,5-Dibromobenzoic acid618-58-657 % similar Bromoterephthalic acid586-35-656 % similar Trimesic acid554-95-056 % similar

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

Same formula

3,5-Dibromosalicylic acid3147-55-5

Elsewhere

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