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PCDE 163,2,3,3',4',5,6-Hexachlorodiphenyl ether,Benzene, 1,2,4

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摘 要:PCDE 163,2,3,3',4',5,6-Hexachlorodiphenyl ether,Benzene, 1,2,4,5-tetrachloro-3-(3,4-dichlorophenoxy)-,155999-97-6, 1,2,4,5-tetrachloro-3-(3,4-dichlorophenoxy)benzene,Canonical SMILES: C1=CC(=C(C=C1OC2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl,InChI: InChI
[Synonyms]
PCDE 163
2,3,3',4',5,6-Hexachlorodiphenyl ether
Benzene, 1,2,4,5-tetrachloro-3-(3,4-dichlorophenoxy)-
155999-97-6

[Structure]
PCDE 163,2,3,3',4',5,6-Hexachlorodiphenyl ether,Benzene, 1,2,4

[ Properties Computed from Structure]
Molecular Weight376.87756 [g/mol]
Molecular FormulaC12H4Cl6O
XLogP7.2
H-Bond Donor0
H-Bond Acceptor1
Rotatable Bond Count2
Exact Mass375.836381
MonoIsotopic Mass373.839331
Topological Polar Surface Area9.2
Heavy Atom Count19
Formal Charge0
Complexity290
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: 1,2,4,5-tetrachloro-3-(3,4-dichlorophenoxy)benzene
Canonical SMILES: C1=CC(=C(C=C1OC2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl
InChI: InChI=1/C12H4Cl6O/c13-6-2-1-5(3-7(6)14)19-12-10(17)8(15)4-9(16)11(12)18/
h1-4H

 
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