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Chemical structure of 1,2,3,6,7,8-Hexachlorodibenzo-p-dioxin

GC90934

1,2,3,6,7,8-Hexachlorodibenzo-p-dioxin

Also known as 1,2,3,6,7,8-hexachlorodibenzo-p-dioxin

A polychlorinated dibenzodioxin

ChemicalCAS57653-85-7MW390.9FormulaC12H2Cl6O2
CAS number
57653-85-7
Molecular weight
390.9
Formula
C12H2Cl6O2
Solubility
nonane：toluene (8：2)： soluble
InChIKey
YCLUIPQDHHPDJJ-UHFFFAOYSA-N
Catalogue number
GC90934
Brand
GLPBIO
Computed properties PubChem CID 42540 · XLogP 7.4 · TPSA 18.5 Ų · H-bond donors 0
XLogP
7.4
TPSA
18.5 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
20

SMILES C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=CC(=C(C(=C3O2)Cl)Cl)Cl

Computed descriptors from PubChem (CID 42540), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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