2-(2-Methyl-5-Nitro-1H-Imidazol-1-Yl)Ethyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C6H10N3O6P
IUPAC Name 2-(2-methyl-5-nitro-imidazol-1-ium-2-ylium-1-yl)ethyl dihydrogen phosphate
Molecular Mass 251.134 g·mol−1
Heat of Formation -951.6 ± 16.7 kJ·mol−1
Dipole Moment 5.02 ± 1.08 D
Volume 257.36 Å 3
Surface Area 239.06 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazole-1-ethanol, 2-methyl-5-nitro-, dihydrogen phosphate (ester)
  • 2-(2-methyl-5-nitro-1-imidazolyl)ethyl dihydrogen phosphate
  • 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl dihydrogen phosphate
  • 2-(2-methyl-5-nitroimidazol-1-yl)ethyl dihydrogen phosphate
  • 2-methyl-5-nitroimidazole-1-ethanol dihydrogen phosphate (ester)
  • d05017
  • metronidazole phosphate
  • metronidazole phosphate (usan)
  • u 54,555
  • u 54555
CAS Number(s)
  • 73334-05-1
InChIKey GFFOAZOYBIIJHI-UHFFFAOYSA-N
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