1,2-DICHLORODIBENZO-P-DIOXIN

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QEQ8K3CG9Q
EPA CompTox DTXSID90202950

Structure

InChI Key DFGDMWHUCCHXIF-UHFFFAOYSA-N
Smiles ClC1=CC=C2OC3=CC=CC=C3OC2=C1Cl
InChI
InChI=1S/C12H6Cl2O2/c13-7-5-6-10-12(11(7)14)16-9-4-2-1-3-8(9)15-10/h1-6H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H6Cl2O2
Molecular Weight 251.97
AlogP 4.89
Hydrogen Bond Acceptor 2.0
Polar Surface Area 18.46
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 54536-18-4
NORMAN SUSDAT
FDA SRS QEQ8K3CG9Q
CONTENTS