2-Nitropyrrole

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Properties Simple | Detailed

Formula C4H4N2O2
IUPAC Name 2-nitropyrrol-1-ium-2-ylium
Molecular Mass 112.087 g·mol−1
Heat of Formation 94.6 ± 16.7 kJ·mol−1
Dipole Moment 4.81 ± 1.08 D
Volume 121.19 Å 3
Surface Area 133.22 Å 2
HOMO Energy -10.13 ± 0.55 eV
LUMO Energy 2.01 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-pyrrole, 2-nitro-
  • 1h-pyrrole, 2-nitro- (9ci)
  • 2-nitro-1h-pyrrole
  • pyrrole, 2-nitro-
  • pyrrole, 2-nitro- (8ci)
CAS Number(s)
  • 5919-26-6
InChIKey FTBBGQKRYUTLMP-UHFFFAOYSA-N
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