4-Nitro-2-(1,1,2,2-Tetrafluoroethyl)-6-(Trifluoromethyl)-1H-Benzimidazole

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Properties Simple | Detailed

Formula C10H4F7N3O2
IUPAC Name 4-nitro-2-(1,1,2,2-tetrafluoroethyl)-6-(trifluoromethyl)-1h-benzimidazole
Molecular Mass 331.146 g·mol−1
Heat of Formation -393.4 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 299.03 Å 3
Surface Area 278.05 Å 2
HOMO Energy -10.92 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-benzimidazole, 4-nitro-2-(1,1,2,2-tetrafluoroethyl)-6-(trifluoromethyl)-
  • 4-nitro-2-(1,1,2,2-tetrafluoroethyl)-6-(trifluoromethyl)-1h-benzimidazole
  • 7-nitro-2-(1,1,2,2-tetrafluoroethyl)-5-(trifluoromethyl)benzimidazole
  • ai3-29271
  • el 919
  • el 979
  • el-919
CAS Number(s)
  • 73618-59-4
InChIKey KSYXQTLWGFQAPR-UHFFFAOYSA-N
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