{3-[4-(Methylsulfonyl)Phenyl]-5-(Trifluoromethyl)-2-Pyridinyl}(Phenyl)Methanone

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Properties Simple | Detailed

Formula C20H14F3NO3S
IUPAC Name [3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridyl]-phenyl-methanone
Molecular Mass 405.390 g·mol−1
Heat of Formation -809.7 ± 16.7 kJ·mol−1
Dipole Moment 4.78 ± 1.08 D
Volume 439.56 Å 3
Surface Area 352.46 Å 2
HOMO Energy -10.46 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
Synonyms
  • [3-(4-mesylphenyl)-5-(trifluoromethyl)-2-pyridyl]-phenyl-methanone
  • [3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridyl]-phenylmethanone
  • [3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl]-phenyl-methanone
  • [3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl]-phenylmethanone
InChIKey GKKBODHPYCNSJW-UHFFFAOYSA-N
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