11-(Chloromethyl)Benzo[Pqr]Tetraphene

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Properties Simple | Detailed

Formula C21H13Cl
IUPAC Name 11-(chloromethyl)benzo[a]pyrene
Molecular Mass 300.781 g·mol−1
Heat of Formation 292.9 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 339.22 Å 3
Surface Area 297.03 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
Synonyms
  • 11-chloromethylbenzo(a)pyrene
  • benzo(a)pyrene, 11-(chloromethyl)-
CAS Number(s)
  • 94500-54-6
InChIKey YNFWZKLFAYROMP-UHFFFAOYSA-N
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DOI
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Elements H C Cl