Temitox
Basic information
- CAS
60-57-1- Standard SMILES
ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@H]4C[C@H]([C@@H]5O[C@H]45)[C@H]3[C@]1(Cl)C2(Cl)Cl- InChIKey
DFBKLUNHFCTMDC-DBVJWRAGSA-N- Molecular formula
- C12H8Cl6O
- Average molar mass
- 380.9 g/mol
- Monoisotopic mass
- 377.870631
Names & identifiers
- Preferred name
- Temitox
- IUPAC
- (1R,2S,3R,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene
Names & synonyms
NSC8934Temitoxhexachloro[?]1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-exo-5,8-endo-dimethanonaphthalene
Database identifiers
- CAS
60-57-1- PubChem CID
- 6478437
Properties
Computed structural properties
- XLogP
- 3.7
- 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
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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