3-chloro-6-(4-phenylphenyl)pyridazine

• ChemBase ID: 114227
• Molecular Formular: C16H11ClN2
• Molecular Mass: 266.72494
• Monoisotopic Mass: 266.06107604
• SMILES: n1nc(ccc1c1ccc(cc1)c1ccccc1)Cl
• Canonical SMILES: Clc1ccc(nn1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C16H11ClN2/c17-16-11-10-15(18-19-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H
• InChIKey: JCABWQZXNVRUBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-(4-phenylphenyl)pyridazine
• IUPAC Traditional name: 3-chloro-6-(4-phenylphenyl)pyridazine
• Synonyms: 3-biphenyl-4-yl-6-chloropyridazine

Database IDs

• MDL Number: MFCD12484097
• PubChem SID: 162099309
• PubChem CID: 11086715

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.280324
• LogD (pH = 7.4): 4.2803264
• Log P: 4.2803264
• Molar Refractivity: 79.5309 cm^3
• Polarizability: 32.507633 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 5.79

Product Information

• Purity: 95+%