2-({[3-Methyl-4-(2,2,2-Trifluoroethoxy)-2-Pyridinyl]Methyl}Sulfonyl)-1H-Benzimidazole

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Properties Simple | Detailed

Formula C16H14F3N3O3S
IUPAC Name 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylsulfonyl]benzimidazol-1-ium-2-ylium
Molecular Mass 385.361 g·mol−1
Heat of Formation -836.7 ± 16.7 kJ·mol−1
Dipole Moment 2.49 ± 1.08 D
Volume 399.91 Å 3
Surface Area 359.71 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylsulfonyl]-1h-benzimidazole
  • 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfonyl]-1h-benzimidazole
InChIKey TVMJMCGRSSSSDJ-UHFFFAOYSA-N
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