2,2',3,3',6,6'-hexachlorobiphenyl

Synonyms: "2,3,6,2',3',6'-hexachlorobiphenyl", "PCB-136", "PCB 136"

Source: 2,2',3,3',6,6'-hexachlorobiphenyl 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: 1,2,4-trichloro-3-(2,3,6-trichlorophenyl)benzene
CAS Number: 38411-22-2
PubChem ID: 38024
InChiKey: FZFUUSROAHKTTF-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C(=C1Cl)C2=C(C=CC(=C2Cl)Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₄Cl₆
Molecular Weight: 360.878

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 18

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

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