4,5,6,7,8,8-Hexachloro-2-pentyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione
Basic information
- CAS
53715-19-8- Standard SMILES
CCCCCN1C(=O)C2C(C1=O)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl- InChIKey
ITTMUAGSVCCSDQ-UHFFFAOYSA-N- Molecular formula
- C14H13Cl6NO2
- Average molar mass
- 440 g/mol
- Monoisotopic mass
- 436.907745
Names & identifiers
- Preferred name
- 4,5,6,7,8,8-Hexachloro-2-pentyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione
- IUPAC
- 1,7,8,9,10,10-hexachloro-4-pentyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Names & synonyms
53715-19-8NSC222334,5,6,7,8,8-hexachloro-2-pentyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dioneDTXSID40968473NSC-22233
Database identifiers
- CAS
53715-19-8- PubChem CID
- 228960
- DTXSID
DTXSID40968473
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 589
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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