CAS
68194-14-9 Purity
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68194-14-9 Purity
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2,2',3,3',4,5,5',6-Octachlorobiphenyl
CAS
68194-17-2
Catalog Number
ACM68194172
Category
Other Products
Molecular Weight
429.8
Molecular Formula
C12H2Cl8
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Specification
Synonyms
1,1'-Biphenyl, 2,2',3,3',4,5,5',6-octachloro-
IUPAC Name
1,2,3,4,5-pentachloro-6-(2,3,5-trichlorophenyl)benzene
Canonical SMILES
C1=C(C=C(C(=C1Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl
InChI Key
PJHBSPRZHUOIAS-UHFFFAOYSA-N
Boiling Point
434.8ºC at 760 mmHg
Flash Point
215.5ºC
Density
1.716 g/cm³
Complexity
323
Defined Atom Stereocenter Count
0
Exact Mass
429.7605
Formal Charge
0
H-Bond Acceptor
0
H-Bond Donor
0
Heavy Atom Count
20
Hydrogen Bond Acceptor Count
0
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
429.7605
Rotatable Bond Count
1
Topological Polar Surface Area
0 Ų
XLogP3-AA
8.1
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