4-hydroxy-2-chlorobiphenyl

Synonyms: "2-chloro-4-biphenylol", "2-chlorobiphenyl-4-ol", "3-chloro-4-phenylphenol", "2-chloro-4-hydroxybiphenyl"

Source: 4-hydroxy-2-chlorobiphenyl is a hydroxylated polychlorinated biphenyl (OH-PCB). OH-PCBs are metabolites of PCBs (polychlorinated biphenyls), which are widely used as dielectric and coolant fluids.

Identifiers:

IUPAC Name: 3-chloro-4-phenylphenol
CAS Number: 23719-22-4
PubChem ID: 79688
InChiKey: MXORDJXBRHNWBE-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)C2=C(C=C(C=C2)O)Cl

Structural Properties:

Molecular Formula: C₁₂H₉ClO
Molecular Weight: 204.652

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 14

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

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