3-(3,4-Difluorophenyl)-4-[4-(Methylsulfonyl)Phenyl]-2(5H)-Furanone

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Properties Simple | Detailed

Formula C17H12F2O4S
IUPAC Name 4-(3,4-difluorophenyl)-3-(4-methylsulfonylphenyl)-2h-furan-5-one
Molecular Mass 350.337 g·mol−1
Heat of Formation -768.5 ± 16.7 kJ·mol−1
Dipole Moment 2.08 ± 1.08 D
Volume 375.7 Å 3
Surface Area 333.57 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • 2(5h)-furanone, 3-(3,4-difluorophenyl)-4-(4-(methylsulfonyl)phenyl)-
  • 3-(3,4-difluorophenyl)-4-(4-(methylsulfonyl)phenyl)-2(5h)-furanone
  • 3-(3,4-difluorophenyl)-4-(4-mesylphenyl)-5h-furan-2-one
  • mf tricyclic
CAS Number(s)
  • 162011-83-8
InChIKey INRQTVDUZFESAO-UHFFFAOYSA-N
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