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

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Formula C12H10Cl6O
IUPAC Name (1s,2r,4r,6s,8s,9r)-1,9,10,11,12,12-hexachloro-4-methyl-5-oxatetracyclo[7.2.1.0 2,8 .0 4,6 ]dodec-10-ene
Molecular Mass 382.925 g·mol−1
Heat of Formation -189.6 ± 16.7 kJ·mol−1
Dipole Moment 3.09 ± 1.08 D
Volume 350.26 Å 3
Surface Area 279.21 Å 2
HOMO Energy -10.07 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,3,4,9,9-hexachloro-1,4,4a,5,8,8a-hexahydro-6-methyl-6,7-epoxy-1,4-methanonaphthalene
  • 3,6-methanonaphth(2,3-b)oxirene, 3,4,5,6,8,8-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-1a-methyl-, (1aalpha,2abeta,3alpha,6alpha,6abeta,7aalpha)-
CAS Number(s)
  • 78185-58-7
InChIKey VGSWVGWUNVYTMO-ZFZPAQFFSA-N
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Elements H C O Cl