1,2,3,4,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-6-methyl-6,7-epoxy-1,4-methanonaphthalene
Basic information
- CAS
78185-58-7- Standard SMILES
C[C@@]12C[C@@H]3[C@H](C[C@@H]1O2)[C@@]1(Cl)C(Cl)=C(Cl)[C@]3(Cl)C1(Cl)Cl- InChIKey
VGSWVGWUNVYTMO-ZFZPAQFFSA-N- Molecular formula
- C12H10Cl6O
- Average molar mass
- 382.9 g/mol
- Monoisotopic mass
- 379.886281
Names & identifiers
- Preferred name
- 1,2,3,4,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-6-methyl-6,7-epoxy-1,4-methanonaphthalene
- IUPAC
- (1S,2R,4R,6S,8S,9R)-1,9,10,11,12,12-hexachloro-4-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene
- English name
- MME
- Molecular formula
- C12H10Cl6O
- Molecular weight
- 382.9252
Names & synonyms
78185-58-71,2,3,4,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-6-methyl-6,7-epoxy-1,4-methanonaphthaleneDTXSID70903973(1S,2R,4R,6S,8S,9R)-1,9,10,11,12,12-Hexachloro-4-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene(1aR,2aR,3S,6R,6aS,7aS)-3,4,5,6,8,8-hexachloro-1a-methyl-1a,2,2a,3,6,6a,7,7a-octahydro-3,6-methanonaphtho[2,3-b]oxirene3,6-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)-
Database identifiers
- CAS
78185-58-7- PubChem CID
- 174115
- DTXSID
DTXSID70903973
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 532
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Compound notes
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