3-(2-chlorophenyl)-6-methoxypyridazine

• ChemBase ID: 796752
• Molecular Formular: C11H9ClN2O
• Molecular Mass: 220.65496
• Monoisotopic Mass: 220.0403406
• SMILES: n1nc(ccc1OC)c1c(cccc1)Cl
• Canonical SMILES: COc1ccc(nn1)c1ccccc1Cl
• InChI: InChI=1S/C11H9ClN2O/c1-15-11-7-6-10(13-14-11)8-4-2-3-5-9(8)12/h2-7H,1H3
• InChIKey: YGXMDHFDYZETTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-chlorophenyl)-6-methoxypyridazine
• IUPAC Traditional name: 3-(2-chlorophenyl)-6-methoxypyridazine
• Synonyms: 3-(2-Chlorophenyl)-6-Methoxypyridazine

Database IDs

• CAS Number: 1333222-20-0

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8497076
• LogD (pH = 7.4): 2.84971
• Log P: 2.84971
• Molar Refractivity: 60.1101 cm^3
• Polarizability: 23.89155 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%