{3-[(6-chloropyridazin-3-yl)oxy]phenyl}methanol

• ChemBase ID: 238526
• Molecular Formular: C11H9ClN2O2
• Molecular Mass: 236.65436
• Monoisotopic Mass: 236.03525522
• SMILES: n1nc(Cl)ccc1Oc1cc(CO)ccc1
• Canonical SMILES: OCc1cccc(c1)Oc1ccc(nn1)Cl
• InChI: InChI=1S/C11H9ClN2O2/c12-10-4-5-11(14-13-10)16-9-3-1-2-8(6-9)7-15/h1-6,15H,7H2
• InChIKey: HBPLXFJPYLVFJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[(6-chloropyridazin-3-yl)oxy]phenyl}methanol
• IUPAC Traditional name: {3-[(6-chloropyridazin-3-yl)oxy]phenyl}methanol
• Synonyms: {3-[(6-chloropyridazin-3-yl)oxy]phenyl}methanol

Database IDs

• MDL Number: MFCD16075007
• PubChem SID: 164294436
• PubChem CID: 61679601

CALCULATED PROPERTIES

• Acid pKa: 14.89493
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9274203
• LogD (pH = 7.4): 1.9274203
• Log P: 1.9274203
• Molar Refractivity: 63.0007 cm^3
• Polarizability: 23.307673 Å^3
• Polar Surface Area: 55.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.34

Product Information

• Purity: 95%