Nitrobenzo(A)Pyrene

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Properties Simple | Detailed

Formula C20H11NO2
IUPAC Name 1-nitrobenzo[a]pyrene
Molecular Mass 297.307 g·mol−1
Heat of Formation 326.0 ± 16.7 kJ·mol−1
Dipole Moment 6.33 ± 1.08 D
Volume 323.91 Å 3
Surface Area 289.58 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -2.04 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-nitrobenzo(a)pyrene
  • benzo(a)pyrene, 1-nitro-
  • benzo(a)pyrene, nitro-
CAS Number(s)
  • 70021-99-7
  • 70021-42-0
InChIKey ICKISBPYFVBVQG-UHFFFAOYSA-N
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