5-Nitro-1H-Pyrazole

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Properties Simple | Detailed

Formula C3H3N3O2
IUPAC Name 5-nitropyrazol-1-ium-2-ide
Molecular Mass 113.075 g·mol−1
Heat of Formation 192.8 ± 16.7 kJ·mol−1
Dipole Moment 2.33 ± 1.08 D
Volume 117.94 Å 3
Surface Area 130.2 Å 2
HOMO Energy -11.06 ± 0.55 eV
LUMO Energy 1.55 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-pyrazole, 3-nitro-
  • 3(5)-nitropyrazole
  • 3-nitro-1h-pyrazole
  • 3-nitro-2h-pyrazole
  • 3-nitropyrazole
  • djw 94
  • djw-94
  • pyrazole, 3-nitro-
CAS Number(s)
  • 141665-24-9
  • 26621-44-3
InChIKey MZRUFMBFIKGOAL-UHFFFAOYSA-N
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