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

• CAS: 40186-72-9
• Catalog Number: ACM40186729
• Category: Other Products
• Molecular Weight: 464.2
• Molecular Formula: C12HCl9
• Synonyms: Nonachlorobiphenyl
• IUPAC Name: 1,2,3,4,5-pentachloro-6-(2,3,4,5-tetrachlorophenyl)benzene
• Canonical SMILES: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl
• InChI Key: JFIMDKGRGPNPRQ-UHFFFAOYSA-N
• Boiling Point: 458.7ºC at 760 mmHg
• Flash Point: 230.2ºC
• Density: 1.769 g/cm³
• Complexity: 351
• Defined Atom Stereocenter Count: 0
• EC Number: 258-738-6
• Exact Mass: 463.7215
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 21
• Hydrogen Bond Acceptor Count: 0
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 463.7215
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 0 Ų
• XLogP3-AA: 8.8