8-hydroxy-2,3,4-trichlorodibenzofuran

Synonyms: "6,7,8-trichlorodibenzofuran-2-ol", "6,7,8-trichloro-2-dibenzofuranol", "2-hydroxy-6,7,8-trichloro dibenzofuran".

Source: 8-Hydroxy-2,3,4-trichlorodibenzofuran is a hydroxylated metabolite of polichlorinated dibenzofurans (PCDFs).

Identifiers:

IUPAC Name: 6,7,8-trichlorodibenzofuran-2-ol
CAS Number: 103124-63-6
PubChem ID: 190483
InChiKey: WRNMERBQJJGYCV-UHFFFAOYSA-N
Canonical SMILES: C1=CC2=C(C=C1O)C3=CC(=C(C(=C3O2)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C12H5Cl3O2
Molecular Weight: 287.520

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 17

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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. DOI: 10.1248/jhs.46.282. URL: https://www.jstage.jst.go.jp/article/jhs1999/46/4/46_4_282/_article.

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