Basic information
- CAS
14458-95-8- Standard SMILES
[O-][N+]1=NC2CC1C1C2C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl- InChIKey
VYPDNJFWSQKSHQ-UHFFFAOYSA-N- Molecular formula
- C10H6Cl6N2O
- Average molar mass
- 382.9 g/mol
- Monoisotopic mass
- 379.861129
Names & identifiers
- Preferred name
- 1,4:5,8-Dimethanophthalazine, 5,6,7,8,9,9a-hexachloro-1,4,4a,5,8,8a-hexahydro-, 2-oxide
- IUPAC
- 1,8,9,10,11,11-hexachloro-4-oxido-5-aza-4-azoniatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
Names & synonyms
1,4:5,8-Dimethanophthalazine, 5,6,7,8,9,9a-hexachloro-1,4,4a,5,8,8a-hexahydro-, 2-oxide14458-95-8RefChem:10533905,6,7,8,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine 2-oxideShell SD-3450SD 3450ENT 25582BRN 0042225AI3-255824-23-00-01184 (Beilstein Handbook Reference)1,4:5,8-Dimethanophthalazine, 5,6,7,8,9,9-hexachloro-1,4,4a,5,8,8a-hexahydro-, 2-oxide1,4:5,8-Dimethanophthalazine, 5,6,7,8,9,9-hexachloro-1,4,4a,5,8,8a-hexahydro-, oxide
Database identifiers
- CAS
14458-95-8- PubChem CID
- 26699
- DTXSID
DTXSID30932340- Nikkaji
- J14.982I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 576
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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