5-Nitrobenzimidazole

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Properties Simple | Detailed

Formula C7H5N3O2
IUPAC Name 5-nitrobenzimidazol-1-ium-3a-ylium
Molecular Mass 163.133 g·mol−1
Heat of Formation 197.0 ± 16.7 kJ·mol−1
Dipole Moment 7.94 ± 1.08 D
Volume 174.24 Å 3
Surface Area 175.82 Å 2
HOMO Energy -10.06 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-benzimidazole, 5-nitro-
  • 5(6)-nitrobenzimidazole
  • 5-nitro-1h-benzimidazole
  • 6-nitro-benzimidazole
  • 6-nitrobenzimidazole
  • ae-641/30196001
  • benzimidazole, 5(or 6)-nitro- (6ci,7ci)
  • benzimidazole, 5-nitro-
  • benzimidazole, 5-nitro- (8ci)
  • benzimidazole, 6-nitro-
  • oprea1_525754
  • oprea1_664147
CAS Number(s)
  • 94-52-0
InChIKey XPAZGLFMMUODDK-UHFFFAOYSA-N
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