6-Bromobenzo[Pqr]Tetraphene

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Properties Simple | Detailed

Formula C20H11Br
IUPAC Name 6-bromobenzo[a]pyrene
Molecular Mass 331.205 g·mol−1
Heat of Formation 367.0 ± 16.7 kJ·mol−1
Dipole Moment 1.92 ± 1.08 D
Volume 318.8 Å 3
Surface Area 282.78 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry Cs
Synonyms
  • 6-bromobenzo(a)pyrene
  • benzo(a)pyrene, 6-bromo-
CAS Number(s)
  • 21248-00-0
InChIKey MJSYSGSEEADMTK-UHFFFAOYSA-N
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Elements H C Br