1-Nitro-7,8,9,10-Tetrahydrobenzo[Pqr]Tetraphene

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Properties Simple | Detailed

Formula C20H15NO2
IUPAC Name 1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene
Molecular Mass 301.339 g·mol−1
Heat of Formation 178.0 ± 16.7 kJ·mol−1
Dipole Moment 6.99 ± 1.08 D
Volume 337.51 Å 3
Surface Area 298.53 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -1.81 ± eV
Point Group Symmetry C1
Synonyms
  • 1-nitro-7,8,9,10-tetrahydrobenzo(a)pyrene
  • 7,8,9,10-tetrahydro-1-nitrobenzo(a)pyrene
  • benzo(a)pyrene, 7,8,9,10-tetrahydro-1-nitro-
CAS Number(s)
  • 88598-56-5
InChIKey GZPLNLYPOUPYOX-UHFFFAOYSA-N
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