6-(Chloromethyl)Benzo[Pqr]Tetraphene

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Properties Simple | Detailed

Formula C21H13Cl
IUPAC Name 6-(chloromethyl)benzo[a]pyrene
Molecular Mass 300.781 g·mol−1
Heat of Formation 277.1 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 336.32 Å 3
Surface Area 293.98 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(chloromethyl)benzo(a)pyrene
  • 6-(chloromethyl)benzo[b]pyrene
  • 6-chloromethylbenzo(a)pyrene
  • benzo(a)pyrene, 6-chloromethyl-
CAS Number(s)
  • 49852-84-8
  • 123358-53-2
InChIKey FRHNMMRZSKOSOL-UHFFFAOYSA-N
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DOI
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Elements H C Cl