3,6-Dinitrobenzo[Pqr]Tetraphene

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Properties Simple | Detailed

Formula C20H10N2O4
IUPAC Name 3,6-dinitrobenzo[a]pyrene
Molecular Mass 342.304 g·mol−1
Heat of Formation 330.9 ± 16.7 kJ·mol−1
Dipole Moment 8.07 ± 1.08 D
Volume 354.04 Å 3
Surface Area 309.97 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 3,6-dinitrobenzo(a)pyrene
  • benzo(a)pyrene, 3,6-dinitro-
CAS Number(s)
  • 128714-76-1
InChIKey FZBOFNLBBMIJMT-UHFFFAOYSA-N
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