3-chlorophenol

Synonyms: "m-chlorophenol", "3-hydroxychlorobenzene", "m-chlorophenic acid"

Source: 3-chlorophenol is a halophenol with antifungal activity.

Identifiers:

IUPAC Name: 3-chlorophenol
CAS Number: 108-43-0
PubChem ID: 7933
InChiKey: HORNXRXVQWOLPJ-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC(=C1)Cl)O

Structural Properties:

Molecular Formula: C₆H₅ClO
Molecular Weight: 128.556

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 8

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

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Van den Berg KJ, van Raaij JAGM, Bragt PC, Notten WRF. 1991. Interactions of halogenated industrial chemicals with transthyretin and effects on thyroid hormone levels in vivo. Arch Toxicol 65(1):15-19.

van den Berg KJ. 1990. Interaction of chlorinated phenols with thyroxine binding sites of human transthyretin, albumin and thyroid binding globulin. Chem Biol Interact 76(1):63-75.