2-Butyl-4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione
Basic information
- CAS
53715-18-7- Standard SMILES
CCCCN1C(=O)C2C(C1=O)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl- InChIKey
CMCLEQOTLKFQAJ-UHFFFAOYSA-N- Molecular formula
- C13H11Cl6NO2
- Average molar mass
- 425.9 g/mol
- Monoisotopic mass
- 422.892095
Names & identifiers
- Preferred name
- 2-Butyl-4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione
- IUPAC
- 4-butyl-1,7,8,9,10,10-hexachloro-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Names & synonyms
53715-18-7NSC222162-butyl-4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dioneDTXSID80968472NSC-22216
Database identifiers
- CAS
53715-18-7- PubChem CID
- 228951
- DTXSID
DTXSID80968472
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 574
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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