1,2,6,7-TETRACHLORODIBENZO-P-DIOXIN

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII J62NF50EHT
EPA CompTox DTXSID6074043

Structure

InChI Key SAMLAWFHXZIRMP-UHFFFAOYSA-N
Smiles ClC1=CC=C2OC3=C(OC2=C1Cl)C=CC(Cl)=C3Cl
InChI
InChI=1S/C12H4Cl4O2/c13-5-1-3-7-11(9(5)15)18-8-4-2-6(14)10(16)12(8)17-7/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H4Cl4O2
Molecular Weight 319.9
AlogP 6.2
Hydrogen Bond Acceptor 2.0
Polar Surface Area 18.46
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 40581-90-6
NORMAN SUSDAT
FDA SRS J62NF50EHT
CONTENTS