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

• ChemBase ID: 114242
• Molecular Formular: C16H11ClN2O
• Molecular Mass: 282.72434
• Monoisotopic Mass: 282.05599066
• SMILES: n1nc(ccc1c1ccc(Oc2ccccc2)cc1)Cl
• Canonical SMILES: Clc1ccc(nn1)c1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C16H11ClN2O/c17-16-11-10-15(18-19-16)12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-11H
• InChIKey: NKFMLGCMNUVKOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16652705
• PubChem SID: 162099387
• PubChem CID: 33676218

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.133385
• LogD (pH = 7.4): 4.133388
• Log P: 4.133388
• Molar Refractivity: 80.6355 cm^3
• Polarizability: 31.782183 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 5.44

Product Information

• Purity: 95+%