Basic information
- CAS
10059-65-1- Standard SMILES
ClC1=C(Cl)C2(Cl)C3C4CCC(C4)C3C1(Cl)C2(Cl)Cl- InChIKey
HNSZJJAOLVQMQU-UHFFFAOYSA-N- Molecular formula
- C12H10Cl6
- Average molar mass
- 366.9 g/mol
- Monoisotopic mass
- 363.891366
Overview
RN given refers to (1alpha,4alpha,4abeta,5beta,8beta,8abeta)-isomer
Names & identifiers
- Preferred name
- rel-(1R,4S,4aS,5S,8R,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-1,4:5,8-dimethanonaphthalene
- IUPAC
- 3,4,5,6,12,12-hexachlorotetracyclo[6.2.1.13,6.02,7]dodec-4-ene
Names & synonyms
Dihydroisodrin2387-13-51,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo-endo-5,8-dimethanonaphthaleneRefChem:930617rel-(1R,4S,4aS,5S,8R,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-1,4:5,8-dimethanonaphthalene10059-65-15,6,7,8,9,9-hexachloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthaleneNSC 122962NSC 143934SCHEMBL11641666DTXSID00905602NSC122962
Show more names
NSC1439343,4,5,6,12,12-hexachlorotetracyclo[6.2.1.13,6.02,7]dodec-4-eneNSC-122962NSC-1439341,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,6,7,8,8a,-octahydro-, (1alpha,4a,4abeta,5alpha,8alpha,8abeta)-
Database identifiers
- CAS
10059-65-1、2387-13-5- PubChem CID
- 97680
- DTXSID
DTXSID00905602
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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