2,2',3,3',4,5,5',6'-Octachlorobiphenyl
Synonyms: 2,2',3,3',4,5,5',6'-Octachlorobiphenyl, "2,2',3,3',4,5,5',6'-Octachloro-1,1'-biphenyl", "95B469I42W", "1,2,3,4-tetrachloro-5-(2,3,5,6-tetrachlorophenyl)benzene", "PCB 199"
Source: Metoprolol acid is a metabolite of metoprolol.
Identifiers:
IUPAC Name: 1,2,3,4-tetrachloro-5-(2,3,5,6-tetrachlorophenyl)benzene
CAS Number: 52663-75-9
PubChem ID: 40482
InChiKey: HJBYDWKNARZTMJ-UHFFFAOYSA-N
Canonical SMILES: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl
Structural Properties:
Molecular Formula: C12H2Cl8
Molecular Weight: 429,800
Pharmacophore Features:
Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 20
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3D structure (.sdf)
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Evidence Supporting This Chemical as an Emerging Contaminant
Mailler, R., Gasperi, J., Patureau, D., Vulliet, E., Delgenes, N., Danel, A., ... & Chebbo, G. (2017). Fate of emerging and priority micropollutants during the sewage sludge treatment: Case study of Paris conurbation. Part 1: Contamination of the different types of sewage sludge. Waste management, 59, 379-393.
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