5-Methyl-2,2,2-Trifluoroethylsulfonyl-1H-Benzimidazole

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Properties Simple | Detailed

Formula C10H9F3N2O2S
IUPAC Name 5-methyl-1-(2,2,2-trifluoroethylsulfonyl)benzimidazol-1-ium
Molecular Mass 278.251 g·mol−1
Heat of Formation -818.8 ± 16.7 kJ·mol−1
Dipole Moment 3.30 ± 1.08 D
Volume 280.17 Å 3
Surface Area 253.3 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • bi-l 45xx
  • bi-l-45 xx
  • bi-l-45xx
CAS Number(s)
  • 111317-77-2
InChIKey FKDKLZUSHUTJRL-UHFFFAOYSA-N
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