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8-(1,4,5,6,7,7-Hexachloro-3-octylbicyclo[2.2.1]hept-5-en-2-yl)-n,n-dimethyloctanamide

HCID 277355
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Basic information

CAS
26138-18-1
Standard SMILES
CCCCCCCCC1C(CCCCCCCC(=O)N(C)C)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl
InChIKey
WIUYRRBSYOVFCI-UHFFFAOYSA-N
Molecular formula
C25H39Cl6NO
Average molar mass
582.3 g/mol
Monoisotopic mass
579.116281

Names & identifiers

Preferred name
8-(1,4,5,6,7,7-Hexachloro-3-octylbicyclo[2.2.1]hept-5-en-2-yl)-n,n-dimethyloctanamide
IUPAC
8-(1,4,5,6,7,7-hexachloro-3-octyl-2-bicyclo[2.2.1]hept-5-enyl)-N,N-dimethyloctanamide

Names & synonyms

26138-18-1NSC1261778-(1,4,5,6,7,7-hexachloro-3-octylbicyclo[2.2.1]hept-5-en-2-yl)-n,n-dimethyloctanamideDTXSID00949021NSC-1261778-(1,4,5,6,7,7-Hexachloro-3-octylbicyclo[2.2.1]hept-5-en-2-yl)-N,N-dimethyloctanamidato

Database identifiers

CAS
26138-18-1
PubChem CID
277355
DTXSID
DTXSID00949021

Properties

Computed structural properties

XLogP
10
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
15
Heavy atoms
33
Formal charge
0
Complexity
696

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