5,6,7,8,9,9-Hexachloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalen-2-ol
Basic information
- CAS
10059-66-2- Standard SMILES
OC1CC2CC1C1C2C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl- InChIKey
WFNWBCXXSCROFS-UHFFFAOYSA-N- Molecular formula
- C12H10Cl6O
- Average molar mass
- 382.9 g/mol
- Monoisotopic mass
- 379.886281
Names & identifiers
- Preferred name
- 5,6,7,8,9,9-Hexachloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalen-2-ol
- IUPAC
- 1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodec-9-en-4-ol
Names & synonyms
10059-66-210059-98-0NSC 1229645,6,7,8,9,9-hexachloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalen-2-olDTXSID60905603NSC122963NSC122964NSC 122963NSC-122963NSC-1229641,4:5,8-Dimethanonaphthalen-2-ol, 5,6,7,8,9,9-hexachloro-1 ,2,3,4,4a,5,8,8a-octahydro-, (1alpha,2alpha,4alpha,4abeta,5lpha,8alpha,8abeta)-1,4:5,8-Dimethanonaphthalen-2-al, 5,6,7,8,9,9-hexachloro-1,2,3,4,4a,5,8,8a-octahydro-
Database identifiers
- CAS
10059-66-2、10059-98-0- PubChem CID
- 98406
- DTXSID
DTXSID60905603
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 518
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Compound notes
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