1-Nitropyrene

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Properties Simple | Detailed

Formula C16H9NO2
IUPAC Name 1-nitropyrene
Molecular Mass 247.248 g·mol−1
Heat of Formation 251.3 ± 16.7 kJ·mol−1
Dipole Moment 6.09 ± 1.08 D
Volume 270.78 Å 3
Surface Area 246.56 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 1.06 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-nitropyrene [nitroarenes]
  • 1-nitropyrene [polycyclic aromatic compounds]
  • 3-nitropyrene
  • nitropyrene
  • pyrene, 1-nitro-
  • pyrene, nitro-
CAS Number(s)
  • 5522-43-0
  • 63021-86-3
InChIKey ALRLPDGCPYIVHP-UHFFFAOYSA-N
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