1,7-DICHLORODIBENZO-P-DIOXIN

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5463ZF2R4T
EPA CompTox DTXSID70231662

Structure

InChI Key IJUWLAFPPVRYGY-UHFFFAOYSA-N
Smiles ClC1=CC=C2OC3=C(Cl)C=CC=C3OC2=C1
InChI
InChI=1S/C12H6Cl2O2/c13-7-4-5-9-11(6-7)15-10-3-1-2-8(14)12(10)16-9/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 82291-26-7
NORMAN SUSDAT
FDA SRS 5463ZF2R4T
CONTENTS