chempirical

3,5-Dibromosalicylic acid

C7H4Br2O3CAS 3147-55-5295.91 g/mol

Open in Covalent MOL file
OHOBrBrHO
Aryl halideCarboxylic acidPhenol

Properties

Molecular formula
C7H4Br2O3
Molar mass
295.91 g/mol
Exact mass
293.8527 Da
Melting point
228 °C
logP
2.62Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
3147-55-5
SMILES
O=C(O)c1cc(Br)cc(Br)c1O
InChIKey
BFBZHSOXKROMBG-UHFFFAOYSA-N
InChI
InChI=1S/C7H4Br2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)

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Names and synonyms

5 names
  • Benzoic acid, 3,5-dibromo-2-hydroxy-
  • Salicylic acid, 3,5-dibromo-
  • 3,5-Dibromo-2-hydroxybenzoic acid
  • 2-Hydroxy-3,5-dibromobenzoic acid
  • NSC 1062

Work with 3,5-Dibromosalicylic 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-Amino-3,5-dibromobenzoic acid609-85-863 % similar 3,5-Dibromo-2-methoxybenzoic acid13130-23-962 % similar Methyl 3,5-dibromosalicylate21702-79-459 % similar 2,5-Dibromobenzoic acid610-71-959 % similar 2,4-Dibromobenzoic acid611-00-759 % similar 2,4,6-Tribromophenol118-79-655 % similar 2,5-Dibromo-1,4-benzenedicarboxylic acid13731-82-355 % similar 3,4′,5-Tribromosalicylanilide87-10-554 % similar

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

Same formula

3,5-Dibromo-4-hydroxybenzoic acid3337-62-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook