3-Nitrobenzo(A)Pyrene

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Properties Simple | Detailed

Formula C20H11NO2
IUPAC Name 3-nitrobenzo[a]pyrene
Molecular Mass 297.307 g·mol−1
Heat of Formation 324.6 ± 16.7 kJ·mol−1
Dipole Moment 6.30 ± 1.08 D
Volume 323.3 Å 3
Surface Area 289.47 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -1.98 ± eV
Point Group Symmetry C1
Synonyms
  • 3-nitrobenz(a)pyrene
  • benzo(a)pyrene, 3-nitro-
CAS Number(s)
  • 70021-98-6
InChIKey CQIJHYPCKYZMIV-UHFFFAOYSA-N
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