3-(4-Nitrophenyl)-1H-Pyrazole

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Properties Simple | Detailed

Formula C9H7N3O2
IUPAC Name 3-(4-nitrophenyl)pyrazol-1-ium-3-ylium
Molecular Mass 189.171 g·mol−1
Heat of Formation 267.8 ± 16.7 kJ·mol−1
Dipole Moment 7.92 ± 1.08 D
Volume 200.19 Å 3
Surface Area 205.98 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 1.60 ± eV
Point Group Symmetry C1
Synonyms
  • 6y-0820
CAS Number(s)
  • 20583-31-7
InChIKey IPIYADCDDIUVPS-UHFFFAOYSA-N
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