4-Chloro-1-Methyl-5-Nitro-1H-Imidazole

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Properties Simple | Detailed

Formula C4H4ClN3O2
IUPAC Name 4-chloro-1-methyl-5-nitro-imidazol-1-ium-5-ylium
Molecular Mass 161.546 g·mol−1
Heat of Formation 114.2 ± 16.7 kJ·mol−1
Dipole Moment 5.40 ± 1.08 D
Volume 159.92 Å 3
Surface Area 163.14 Å 2
HOMO Energy -10.19 ± 0.55 eV
LUMO Energy 1.63 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-imidazole, 4-chloro-1-methyl-5-nitro-
  • 1h-imidazole, 4-chloro-1-methyl-5-nitro- (9ci)
  • 4-chloro-1-methyl-5-nitro-imidazole
  • 4-chloro-1-methyl-5-nitroimidazole
  • bb_sc-0320
  • chloronizole
  • khlomizol
CAS Number(s)
  • 4897-31-8
InChIKey BYQOKNIMGIDSHN-UHFFFAOYSA-N
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Elements H C N O Cl