2,2',3,3',4,4',5,6-Octachlorobiphenyl

• CAS: 52663-78-2
• Catalog Number: ACM52663782
• Category: Other Products
• Molecular Weight: 429.8
• Molecular Formula: C12H2Cl8
• Synonyms: BZNO 195;2,2',3,3',4,4',5,6-OCTACHLOROBIPHENYL;PCB NO 195;PCB 195
• IUPAC Name: 1,2,3,4,5-pentachloro-6-(2,3,4-trichlorophenyl)benzene
• Canonical SMILES: C1=CC(=C(C(=C1C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl
• InChI Key: JAHJITLFJSDRCG-UHFFFAOYSA-N
• Boiling Point: 435.6ºC at 760 mmHg
• Flash Point: 216.1ºC
• Density: 1.716 g/cm³
• Complexity: 323
• Defined Atom Stereocenter Count: 0
• Exact Mass: 429.7605
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 20
• Hydrogen Bond Acceptor Count: 0
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 429.7605
• Rotatable Bond Count: 0
• Topological Polar Surface Area: 0 Ų
• XLogP3-AA: 8.2