2,4,6-trichlorobiphenyl

Synonyms: "PCB 30", "2,4,6-trichloro-1,1'-biphenyl", "2,4,6-PCB"

Source: 2,4,6-trichlorobiphenyl is a member of the polychlorinated biphenyls (PCBs), a group of industrial chemicals used as dielectrics, coolants and lubricants in electrical equipment. PCBs contaminate water by leaching from landfills or other waste deposits.

Identifiers:

IUPAC Name: 1,3,5-trichloro-2-phenylbenzene
CAS Number: 35693-92-6
PubChem ID: 37247
InChiKey: MTLMVEWEYZFYTH-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)C2=C(C=C(C=C2Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₇Cl₃
Molecular Weight: 257.543

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 15

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

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