3,3'-DICHLOROBIPHENYL

• CAS: 2050-67-1
• Catalog Number: ACM2050671
• Category: Other Products
• Molecular Weight: 223.09
• Molecular Formula: C12H8Cl2
• Synonyms: 1,1'-Biphenyl, 3,3'-dichloro-
• IUPAC Name: 1-chloro-3-(3-chlorophenyl)benzene
• Canonical SMILES: C1=CC(=CC(=C1)Cl)C2=CC(=CC=C2)Cl
• InChI: InChI=1S/C12H8Cl2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H
• InChI Key: KTXUOWUHFLBZPW-UHFFFAOYSA-N
• Boiling Point: 289.78 ºC
• Melting Point: 29 ºC
• Flash Point: 150.5ºC
• Density: 1.2490 g/ml
• Complexity: 161
• Defined Atom Stereocenter Count: 0
• Exact Mass: 222.0003
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 0
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 222.0003
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 0 Ų
• XLogP3-AA: 5.2