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88544-02-9 | 1-Undecen-3-one, 5,7,7,9,9,11,11,11-octachloro-
CAS No: 88544-02-9 Catalog No: AG004FQN MDL No:
Product Description
Catalog Number:
AG004FQN
Chemical Name:
1-Undecen-3-one, 5,7,7,9,9,11,11,11-octachloro-
CAS Number:
88544-02-9
Molecular Formula:
C11H12Cl8O
Molecular Weight:
443.8364
IUPAC Name:
5,7,7,9,9,11,11,11-octachloroundec-1-en-3-one
InChI:
InChI=1S/C11H12Cl8O/c1-2-8(20)3-7(12)4-9(13,14)5-10(15,16)6-11(17,18)19/h2,7H,1,3-6H2
InChI Key:
OHCFWDFYCMJAMV-UHFFFAOYSA-N
SMILES:
C=CC(=O)CC(CC(CC(CC(Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)Cl
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.834g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
443.816g/mol
Monoisotopic Mass:
439.84g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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