(1R,2S,4R,6S,8R,9S)-1,9,10,11,12,12-Hexachloro-5-Oxatetracyclo[7.2.1.0~2,8~.0~4,6~]Dodec-10-Ene

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Properties Simple | Detailed

Formula C11H8Cl6O
IUPAC Name (1r,2s,4r,6s,8r,9s)-1,9,10,11,12,12-hexachloro-5-oxatetracyclo[7.2.1.0 2,8 .0 4,6 ]dodec-10-ene
Molecular Mass 368.899 g·mol−1
Heat of Formation -148.2 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 329.28 Å 3
Surface Area 261.77 Å 2
HOMO Energy -10.17 ± 0.55 eV
LUMO Energy 2.01 ± eV
Point Group Symmetry Cs
Synonyms
  • 3,6-methanonaphth(2,3-b)oxirene, 3,4,5,6,8,8-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aalpha,2aalpha,3beta,6beta,6aalpha,7aalpha)-
CAS Number(s)
  • 61740-46-3
InChIKey QVZLFPOSNZQZIZ-MNDOKOEESA-N
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Elements H C O Cl