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

• ChemBase ID: 114261
• Molecular Formular: C11H8Cl2N2
• Molecular Mass: 239.10062
• Monoisotopic Mass: 238.00645363
• SMILES: n1nc(ccc1c1cc(c(cc1)Cl)C)Cl
• Canonical SMILES: Clc1ccc(nn1)c1ccc(c(c1)C)Cl
• InChI: InChI=1S/C11H8Cl2N2/c1-7-6-8(2-3-9(7)12)10-4-5-11(13)15-14-10/h2-6H,1H3
• InChIKey: NQCSZGDCHRTMQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-(4-chloro-3-methylphenyl)pyridazine
• IUPAC Traditional name: 3-chloro-6-(4-chloro-3-methylphenyl)pyridazine
• Synonyms: 3-chloro-6-(4-chloro-3-methylphenyl)pyridazine

Database IDs

• MDL Number: MFCD16652709
• PubChem SID: 162099481
• PubChem CID: 33676271

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7505643
• LogD (pH = 7.4): 3.750567
• Log P: 3.750567
• Molar Refractivity: 64.2407 cm^3
• Polarizability: 25.063433 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 4.755

Product Information

• Purity: 95+%