2',4'-Difluoro-4,5-Dihydroxy-3-Biphenylcarboxylic Acid

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Properties Simple | Detailed

Formula C13H8F2O4
IUPAC Name 5-(2,4-difluorophenyl)-2,3-dihydroxy-benzoic acid
Molecular Mass 266.197 g·mol−1
Heat of Formation -955.2 ± 16.7 kJ·mol−1
Dipole Moment 1.73 ± 1.08 D
Volume 275.31 Å 3
Surface Area 258.08 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • 3-hydroxy-diflunisal
  • 3-hydroxydiflunisal
  • 5-(2,4-difluorophenyl)-2,3-dihydroxybenzoic acid
CAS Number(s)
  • 138473-86-6
InChIKey CFMLSPVNKGETAQ-UHFFFAOYSA-N
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