3,8-dihydroxy-2-chlorodibenzofuran

Synonyms: "8-chloro-2,7-dibenzofurandiol", "2-chloro-3,8-dibenzofurandiol"

Source: 3,8-dihydroxy-2-chlorodibenzofuran is a hydroxylated metabolite of polichlorinated dibenzofurans (PCDFs).

Identifiers:

IUPAC Name: 8-chlorodibenzofuran-2,7-diol
CAS Number: n/a
PubChem ID: 11954129
InChiKey: IRPYRTZTPXYMQI-UHFFFAOYSA-N
Canonical SMILES: C1=CC2=C(C=C1O)C3=CC(=C(C=C3O2)O)Cl

Structural Properties:

Molecular Formula: C₁₂H₇ClO₃
Molecular Weight: 234.635

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 16

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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TEDX List of Potential Endocrine Disruptors

Nishihara T, Nishikawa J, Kanayama T, Dakeyama F, Saito K, Imagawa M, Takatori S, Kitagawa Y, Hori S, Utsumi H. 2000. Estrogenic activities of 517 chemicals by yeast two-hybrid assay. Journal of Health Science 46(4):282-298.