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2,7-dibromo,1,9-dichloro-dibenzo-dioxin 2,7-dibromo-1,9-dichlorooxanth

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摘 要:2,7-dibromo,1,9-dichloro-dibenzo-dioxin 2,7-dibromo-1,9-dichlorooxanthrene,Canonical SMILES: C1=CC(=C(C2=C1OC3=CC(=CC(=C3O2)Cl)Br)Cl)Br,InChI: InChI=1/C12H4Br2Cl2O2/c13-5-3-7(15)11-9(4-5)17-8-2-1-6(14)10(16)12(8)18-,11/h1-4H,Molecular Weight410.87296
[Synonyms]
2,7-dibromo,1,9-dichloro-dibenzo-dioxin
[Structure]
2,7-dibromo,1,9-dichloro-dibenzo-dioxin 2,7-dibromo-1,9-dichlorooxanth

[ Properties Computed from Structure]
Molecular Weight410.87296 [g/mol]
Molecular FormulaC12H4Br2Cl2O2
XLogP5.8
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count0
Exact Mass409.793463
MonoIsotopic Mass407.79551
Topological Polar Surface Area18.5
Heavy Atom Count18
Formal Charge0
Complexity321
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: 2,7-dibromo-1,9-dichlorooxanthrene
Canonical SMILES: C1=CC(=C(C2=C1OC3=CC(=CC(=C3O2)Cl)Br)Cl)Br
InChI: InChI=1/C12H4Br2Cl2O2/c13-5-3-7(15)11-9(4-5)17-8-2-1-6(14)10(16)12(8)18-
11/h1-4H

 
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