6-Nitrosobenzo[Pqr]Tetraphene

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Properties Simple | Detailed

Formula C20H11NO
IUPAC Name 6-nitrosobenzo[a]pyrene
Molecular Mass 281.307 g·mol−1
Heat of Formation 428.0 ± 16.7 kJ·mol−1
Dipole Moment 2.83 ± 1.08 D
Volume 313.22 Å 3
Surface Area 279.62 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -1.76 ± eV
Point Group Symmetry C1
Synonyms
  • 6-nitrosobenzo(a)pyrene
  • 6-nitrosobenzo[b]pyrene
  • benzo(a)pyrene, 6-nitroso-
CAS Number(s)
  • 118745-15-6
InChIKey ICRDTHCKNWXAFG-UHFFFAOYSA-N
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