Nitrobenzo(E)Pyrene

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Properties Simple | Detailed

Formula C20H11NO2
IUPAC Name 8-nitrobenzo[e]pyrene
Molecular Mass 297.307 g·mol−1
Heat of Formation 336.5 ± 16.7 kJ·mol−1
Dipole Moment 4.95 ± 1.08 D
Volume 325.83 Å 3
Surface Area 286.53 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -1.61 ± eV
Point Group Symmetry C1
Synonyms
  • 1-nitrobenzo(e)pyrene
  • 3-nitrobenzo(e)pyrene
  • benzo(e)pyrene, 1-nitro-
  • benzo(e)pyrene, 3-nitro-
CAS Number(s)
  • 91259-16-4
InChIKey MXWQJYPMZBPDRV-UHFFFAOYSA-N
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