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

• ChemBase ID: 114246
• Molecular Formular: C12H11ClN2O
• Molecular Mass: 234.68154
• Monoisotopic Mass: 234.05599066
• SMILES: n1nc(ccc1c1ccc(cc1)OCC)Cl
• Canonical SMILES: CCOc1ccc(cc1)c1ccc(nn1)Cl
• InChI: InChI=1S/C12H11ClN2O/c1-2-16-10-5-3-9(4-6-10)11-7-8-12(13)15-14-11/h3-8H,2H2,1H3
• InChIKey: QPXNTOREPRGCSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12143155
• PubChem SID: 162099313
• PubChem CID: 33676233

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8322344
• LogD (pH = 7.4): 2.8322377
• Log P: 2.8322377
• Molar Refractivity: 65.6065 cm^3
• Polarizability: 25.795595 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 4.127

Product Information

• Purity: 95+%