3,6-dichloropyridazin-4-ol

• ChemBase ID: 288019
• Molecular Formular: C4H2Cl2N2O
• Molecular Mass: 164.97748
• Monoisotopic Mass: 163.95441805
• SMILES: Oc1cc(Cl)nnc1Cl
• Canonical SMILES: Clc1nnc(c(c1)O)Cl
• InChI: InChI=1S/C4H2Cl2N2O/c5-3-1-2(9)4(6)8-7-3/h1H,(H,7,9)
• InChIKey: UZRZWRDICWBWBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dichloropyridazin-4-ol
• IUPAC Traditional name: 3,6-dichloropyridazin-4-ol
• Synonyms: 3,6-Dichloropyridazin-4-ol

Database IDs

• CAS Number: 2779-81-9
• PubChem SID: 180673550
• PubChem CID: 76018

CALCULATED PROPERTIES

• Acid pKa: 7.1846375
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1120278
• LogD (pH = 7.4): 0.7167986
• Log P: 1.1206819
• Molar Refractivity: 37.4775 cm^3
• Polarizability: 13.280001 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%