Hexachlorocyclohexadienone

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Properties Simple | Detailed

Formula C6Cl6O
IUPAC Name 2,3,4,5,6,6-hexachlorocyclohexa-2,4-dien-1-one
Molecular Mass 300.782 g·mol−1
Heat of Formation -185.1 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 248.6 Å 3
Surface Area 222.18 Å 2
HOMO Energy -10.24 ± 0.55 eV
LUMO Energy 0.39 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,3,4,5,6,6-hexachloro-1-cyclohexa-2,4-dienone
  • 2,3,4,5,6,6-hexachloro-2,4-cyclohexadien-1-one
  • 2,3,4,5,6,6-hexachloro-2,4-cyclohexadienone
  • 2,4-cyclohexadien-1-one, 2,3,4,5,6,6-hexachloro-
CAS Number(s)
  • 21306-21-8
InChIKey BBLJNWQYENOWPH-UHFFFAOYSA-N
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Elements C O Cl