12-(Chloromethyl)Benzo[Pqr]Tetraphene

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Properties Simple | Detailed

Formula C21H13Cl
IUPAC Name 12-(chloromethyl)benzo[a]pyrene
Molecular Mass 300.781 g·mol−1
Heat of Formation 270.9 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 339.03 Å 3
Surface Area 298.86 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
Synonyms
  • 12-chloromethylbenzo(a)pyrene
  • benzo(a)pyrene, 12-(chloromethyl)-
CAS Number(s)
  • 94500-44-4
InChIKey NSEJACQEDMUEIJ-UHFFFAOYSA-N
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Elements H C Cl