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Diflunisal

C13H8F2O3CAS 22494-42-4250.20 g/mol

Open in Covalent MOL file
OHOFFHO
Aryl halideCarboxylic acidPhenol

Properties

Molecular formula
C13H8F2O3
Molar mass
250.20 g/mol
Exact mass
250.0442 Da
Melting point
210–221 °C
logP
3.04Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
22494-42-4
SMILES
O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O
InChIKey
HUPFGZXOMWLGNK-UHFFFAOYSA-N
InChI
InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)

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Names and synonyms

18 names · show all
  • [1,1′-Biphenyl]-3-carboxylic acid, 2′,4′-difluoro-4-hydroxy-
  • 3-Biphenylcarboxylic acid, 2′,4′-difluoro-4-hydroxy-
  • 2′,4′-Difluoro-4-hydroxy[1,1′-biphenyl]-3-carboxylic acid
  • 5-(2,4-Difluorophenyl)salicylic acid
  • MK 647
  • Dolobid
  • Fluodonil
  • Dolisal
  • Dolobis
  • Fluniget
  • Flustar
  • Flovacil
  • Adomal
  • Difludol
  • 2′,4′-Difluoro-4-hydroxybiphenyl-3-carboxylic acid
  • Doloban
  • Diflusinal
  • 2-Hydroxy-5-(2,4-difluorophenyl)benzoic acid

Work with Diflunisal

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-Fluorosalicylic acid345-16-468 % similar 4-Fluoro-2-hydroxybenzoic acid345-29-960 % similar 2,4-Difluorobenzoic acid1583-58-057 % similar 2,5-Difluorobenzoic acid2991-28-854 % similar Gentisic acid490-79-948 % similar 4-Hydroxyisophthalic acid636-46-448 % similar 4′-Fluoro[1,1′-biphenyl]-2-carboxylic acid1841-57-247 % similar 2,4-Difluorophenol367-27-146 % similar

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

Elsewhere

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