3,4-Dichlorobiphenyl

• CAS: 2974-92-7
• Catalog Number: ACM2974927
• Category: Other Products
• Molecular Weight: 223.09g/mol
• Molecular Formula: C12H8Cl2
• Synonyms: 3,4-Dichlorobiphenyl-d5;3,4-Dichlorobiphenyl (3,4-PCB)
• IUPAC Name: 1,2-dichloro-4-phenylbenzene
• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=C(C=C2)Cl)Cl
• InChI: InChI=1S/C12H8Cl2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8H
• InChI Key: ZGHQUYZPMWMLBM-UHFFFAOYSA-N
• Density: 1.249 g/cm³
• Solubility: 4.07e-07 M
• Complexity: 175
• Covalently-Bonded Unit Count: 1
• Exact Mass: 222.000306g/mol
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 14
• LogP: 5.29 (LogP)
• Monoisotopic Mass: 222.000306g/mol
• NSC Number: 249832
• Rotatable Bond Count: 1
• UNII: PSW7P9K6HP
• XLogP3: 5.3