1,6-Dinitrobenzo(A)Pyrene

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Properties Simple | Detailed

Formula C20H10N2O4
IUPAC Name 1,6-dinitrobenzo[a]pyrene
Molecular Mass 342.304 g·mol−1
Heat of Formation 353.3 ± 16.7 kJ·mol−1
Dipole Moment 1.11 ± 1.08 D
Volume 352.99 Å 3
Surface Area 308.4 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -2.71 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,6-dinitrobenzo[b]pyrene
  • benzo(a)pyrene, 1,6-dinitro-
CAS Number(s)
  • 128714-75-0
InChIKey ZBUIFCQCAOFRJN-UHFFFAOYSA-N
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