1-(2-Hydroxyethyl)-5-Nitro-1H-Pyrrole-2-Carbonitrile

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Properties Simple | Detailed

Formula C7H7N3O3
IUPAC Name 1-(2-hydroxyethyl)-5-nitro-pyrrol-1-ium-5-ylium-2-carbonitrile
Molecular Mass 181.149 g·mol−1
Heat of Formation 53.5 ± 16.7 kJ·mol−1
Dipole Moment 1.92 ± 1.08 D
Volume 205.13 Å 3
Surface Area 196.32 Å 2
HOMO Energy -10.50 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-hydroxyethyl)-2-cyano-5-nitropyrrole
  • 1-(2-hydroxyethyl)-5-nitro-2-pyrrolecarbonitrile
  • 1-(2-hydroxyethyl)-5-nitro-pyrrole-2-carbonitrile
  • 1-(2-hydroxyethyl)-5-nitropyrrole-2-carbonitrile
  • 1h-pyrrole-2-carbonitrile, 1-(2-hydroxyethyl)-5-nitro-
  • 1h-pyrrole-2-carbonitrile, 1-(2-hydroxyethyl)-5-nitro- (9ci)
  • hcnp
  • np 1
  • pyrrole-2-carbonitrile, 1-(2-hydroxyethyl)-5-nitro-
CAS Number(s)
  • 3150-53-6
InChIKey LMXHFXAFDMNKIM-UHFFFAOYSA-N
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