9-(1,2,3,4,7,7-Hexachloro-5-bicyclo[2.2.1]hept-2-enyl)-1-piperidin-1-ylnonan-1-one
Basic information
- CAS
25994-92-7- Standard SMILES
O=C(CCCCCCCCC1CC2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl)N1CCCCC1- InChIKey
BEQRGADWQBKYCL-UHFFFAOYSA-N- Molecular formula
- C21H29Cl6NO
- Average molar mass
- 524.2 g/mol
- Monoisotopic mass
- 521.038031
Names & identifiers
- Preferred name
- 9-(1,2,3,4,7,7-Hexachloro-5-bicyclo[2.2.1]hept-2-enyl)-1-piperidin-1-ylnonan-1-one
- IUPAC
- 9-(1,4,5,6,7,7-hexachloro-2-bicyclo[2.2.1]hept-5-enyl)-1-piperidin-1-ylnonan-1-one
Names & synonyms
25994-92-7NSC1262069-(1,2,3,4,7,7-hexachloro-5-bicyclo[2.2.1]hept-2-enyl)-1-piperidin-1-ylnonan-1-one9-(1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-en-2-yl)-1-(piperidin-1-yl)nonan-1-oneDTXSID00298783NSC-126206
Database identifiers
- CAS
25994-92-7- PubChem CID
- 277372
- DTXSID
DTXSID00298783
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 647
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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