1-(2-Fluoroethyl)-2-Methyl-5-Nitro-1H-Imidazole

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Properties Simple | Detailed

Formula C6H8FN3O2
IUPAC Name 1-(2-fluoroethyl)-2-methyl-5-nitro-imidazol-1-ium-2-ylium
Molecular Mass 173.145 g·mol−1
Heat of Formation -106.1 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 191.29 Å 3
Surface Area 183.99 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy 1.87 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-fluoroethyl)-2-methyl-5-nitro-imidazole
  • 1-(2-fluoroethyl)-2-methyl-5-nitroimidazole
  • 1h-imidazole, 1-(2-fluoro-18f-ethyl)-2-methyl-5-nitro-
  • fluoro-norhydroxymetronidazole
CAS Number(s)
  • 104613-89-0
InChIKey OKUUSPALJBJESB-UHFFFAOYSA-N
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