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25994-92-7 | 1-Nonanone, 9-(1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-en-2-yl)-1-(1-piperidinyl)-
CAS No: 25994-92-7 Catalog No: AG002RC0 MDL No:
Product Description
Catalog Number:
AG002RC0
Chemical Name:
1-Nonanone, 9-(1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-en-2-yl)-1-(1-piperidinyl)-
CAS Number:
25994-92-7
Molecular Formula:
C21H29Cl6NO
Molecular Weight:
524.1791
IUPAC Name:
9-(1,4,5,6,7,7-hexachloro-2-bicyclo[2.2.1]hept-5-enyl)-1-piperidin-1-ylnonan-1-one
InChI:
InChI=1S/C21H29Cl6NO/c22-17-18(23)20(25)15(14-19(17,24)21(20,26)27)10-6-3-1-2-4-7-11-16(29)28-12-8-5-9-13-28/h15H,1-14H2
InChI Key:
BEQRGADWQBKYCL-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC1)CCCCCCCCC1CC2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl
NSC Number:
126206
Properties
Complexity:
647
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
523.035g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
524.169g/mol
Monoisotopic Mass:
521.038g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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