3-chloro-6-(2-methoxyphenyl)pyridazine

• ChemBase ID: 77532
• Molecular Formular: C11H9ClN2O
• Molecular Mass: 220.65496
• Monoisotopic Mass: 220.0403406
• SMILES: n1nc(ccc1c1c(cccc1)OC)Cl
• Canonical SMILES: COc1ccccc1c1ccc(nn1)Cl
• InChI: InChI=1S/C11H9ClN2O/c1-15-10-5-3-2-4-8(10)9-6-7-11(12)14-13-9/h2-7H,1H3
• InChIKey: ZCKBVNDUEOLHME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-(2-methoxyphenyl)pyridazine
• IUPAC Traditional name: 3-chloro-6-(2-methoxyphenyl)pyridazine
• Synonyms: 3-Chloro-6-(2-methoxyphenyl)pyridazine

Database IDs

• MDL Number: MFCD06801341
• PubChem SID: 162042404
• PubChem CID: 26370277

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4754293
• LogD (pH = 7.4): 2.4754298
• Log P: 2.4754298
• Molar Refractivity: 60.8579 cm^3
• Polarizability: 23.959776 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.784

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%