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

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Properties Simple | Detailed

Formula C4H4BrN3O2
IUPAC Name 5-bromo-1-methyl-4-nitro-imidazol-1-ium-5-ylium
Molecular Mass 205.997 g·mol−1
Heat of Formation 169.8 ± 16.7 kJ·mol−1
Dipole Moment 8.87 ± 1.08 D
Volume 167.43 Å 3
Surface Area 168.82 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-methyl-5-bromo-4-nitroimidazole
  • 1h-imidazole, 5-bromo-1-methyl-4-nitro-
  • 5-bromo-1-methyl-4-nitro-imidazole
  • 5-bromo-1-methyl-4-nitroimidazole
  • mtr 1-80
CAS Number(s)
  • 933-87-9
InChIKey PQZGBZGIQGQAFD-UHFFFAOYSA-N
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Elements H C O Br N