1-Methyl-5-Chloro-4-Nitroimidazole

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Properties Simple | Detailed

Formula C4H4ClN3O2
IUPAC Name 5-chloro-1-methyl-4-nitro-imidazol-1-ium-5-ylium
Molecular Mass 161.546 g·mol−1
Heat of Formation 123.5 ± 16.7 kJ·mol−1
Dipole Moment 8.81 ± 1.08 D
Volume 161.05 Å 3
Surface Area 164.21 Å 2
HOMO Energy -10.25 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-imidazole, 5-chloro-1-methyl-4-nitro-
  • 5-chloro-1-methyl-4-nitro-1h-imidazole
  • 5-chloro-1-methyl-4-nitro-imidazole
  • 5-chloro-1-methyl-4-nitroimidazole
  • imidazole, 5-chloro-1-methyl-4-nitro-
  • pcmni
  • s 50154-9
  • tos-bb-0124
  • zero/005727
CAS Number(s)
  • 4897-25-0
InChIKey OSJUNMSWBBOTQU-UHFFFAOYSA-N
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Elements H C N O Cl