1,8-DICHLORODIBENZO-P-DIOXIN

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 22OVJ6712M
EPA CompTox DTXSID30231663

Structure

InChI Key PLZYIHQBHROTFD-UHFFFAOYSA-N
Smiles ClC1=CC=C2OC3=CC=CC(Cl)=C3OC2=C1
InChI
InChI=1S/C12H6Cl2O2/c13-7-4-5-9-11(6-7)16-12-8(14)2-1-3-10(12)15-9/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 82291-27-8
NORMAN SUSDAT
FDA SRS 22OVJ6712M
CONTENTS