2,3,3',4,4',5,5'-Heptachlorobiphenyl

• CAS: 39635-31-9
• Catalog Number: ACM39635319
• Category: Other Products
• Molecular Weight: 395.3
• Molecular Formula: C12H3Cl7
• Synonyms: 2,3,3',4,4',5,5'-Heptachloro-1,1'-biphenyl
• IUPAC Name: 1,2,3,4-tetrachloro-5-(3,4,5-trichlorophenyl)benzene
• Canonical SMILES: C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl
• InChI Key: XUAWBXBYHDRROL-UHFFFAOYSA-N
• Boiling Point: 443.9ºC at 760mmHg
• Flash Point: 225.4ºC
• Density: 1.658g/cm³
• Complexity: 301
• Defined Atom Stereocenter Count: 0
• Exact Mass: 393.8024
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 19
• Hydrogen Bond Acceptor Count: 0
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 393.8024
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 0 Ų
• XLogP3-AA: 8.1