(1S,2S,3R,4S,5S,6R)-1,2,3,4,5-Pentachloro-7-Oxabicyclo[4.1.0]Heptane

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Formula C6H5Cl5O
IUPAC Name (1s,2s,3r,4s,5s,6r)-1,2,3,4,5-pentachloro-7-oxabicyclo[4.1.0]heptane
Molecular Mass 270.368 g·mol−1
Heat of Formation -269.0 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 239.85 Å 3
Surface Area 208.41 Å 2
HOMO Energy -11.25 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,4,5,6-pentachlorocyclohexene-1-oxide
  • 7-oxabicyclo(4.1.0)heptane, 1,2,3,4,5-pentachloro-, (1alpha,2beta,3alpha,4beta,5beta,6alpha)-
CAS Number(s)
  • 93672-46-9
InChIKey BHHXTWQURUPAAI-GTTIYYRPSA-N
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Elements H C O Cl