6-Nitrobenzo(A)Pyrene

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Properties Simple | Detailed

Formula C20H11NO2
IUPAC Name 6-nitrobenzo[a]pyrene
Molecular Mass 297.307 g·mol−1
Heat of Formation 334.9 ± 16.7 kJ·mol−1
Dipole Moment 5.43 ± 1.08 D
Volume 323.13 Å 3
Surface Area 285.82 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -1.96 ± eV
Point Group Symmetry C1
Synonyms
  • 6-nitrobenz(a)pyrene
  • 6-nitrobenzo[b]pyrene
CAS Number(s)
  • 63041-90-7
InChIKey NMMAFYSZGOFZCM-UHFFFAOYSA-N
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