Free Chemical Databases
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[Synonyms]
2,7-dibromo,3,8-dichloro-dibenzo-dioxin
Dibenzodioxin, 2,7-dibromo-, 3,8-dichloro-
122418-69-3
[Structure]
[ Properties Computed from Structure]
Molecular Weight 410.87296 [g/mol] Molecular Formula C12H4Br2Cl2O2 XLogP 5.8 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 0 Exact Mass 409.793463 MonoIsotopic Mass 407.79551 Topological Polar Surface Area 18.5 Heavy Atom Count 18 Formal Charge 0 Complexity 291 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2,7-dibromo-3,8-dichlorooxanthrene
Canonical SMILES: C1=C2C(=CC(=C1Cl)Br)OC3=CC(=C(C=C3O2)Br)Cl
InChI: InChI=1/C12H4Br2Cl2O2/c13-5-1-9-11(3-7(5)15)18-10-2-6(14)8(16)4-12(10)
17-9/h1-4H
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