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PCB 201,2,2',3,3',4,5',6,6'-Octachlorobiphenyl,1,1'

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摘 要:PCB 201,2,2',3,3',4,5',6,6'-Octachlorobiphenyl,1,1'-Biphenyl, 2,2',3,3',4,5',6,6'-octachloro-,2,2',3,3',4,5',6,6',-OCTACHLOROBIPHENYL,2,2',3,3',4,5',6,6'-Octachloro-1,1'-biphenyl
[Synonyms]
PCB 201
2,2',3,3',4,5',6,6'-Octachlorobiphenyl
1,1'-Biphenyl, 2,2',3,3',4,5',6,6'-octachloro-
2,2',3,3',4,5',6,6',-OCTACHLOROBIPHENYL
2,2',3,3',4,5',6,6'-Octachloro-1,1'-biphenyl
40186-71-8

[Structure]
PCB 201,2,2',3,3',4,5',6,6'-Octachlorobiphenyl,1,1'

[ Properties Computed from Structure]
Molecular Weight429.76828 [g/mol]
Molecular FormulaC12H2Cl8
XLogP8.9
H-Bond Donor0
H-Bond Acceptor0
Rotatable Bond Count1
Exact Mass429.760572
MonoIsotopic Mass425.766472
Topological Polar Surface Area0
Heavy Atom Count20
Formal Charge0
Complexity325
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1,2,3,5-tetrachloro-4-(2,3,5,6-tetrachlorophenyl)benzene
Canonical SMILES: C1=C(C(=C(C(=C1Cl)Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl
InChI: InChI=1/C12H2Cl8/c13-3-1-6(16)11(19)12(20)7(3)8-9(17)4(14)2-5(15)10(8)
18/h1-2H

 
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