4-chloropyridazin-3-ol

• ChemBase ID: 289808
• Molecular Formular: C4H3ClN2O
• Molecular Mass: 130.53242
• Monoisotopic Mass: 129.99339041
• SMILES: Oc1nnccc1Cl
• Canonical SMILES: Clc1ccnnc1O
• InChI: InChI=1S/C4H3ClN2O/c5-3-1-2-6-7-4(3)8/h1-2H,(H,7,8)
• InChIKey: UYWAYTBDMJFIQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloropyridazin-3-ol
• IUPAC Traditional name: 4-chloropyridazin-3-ol
• Synonyms: 4-Chloropyridazin-3-ol

Database IDs

• CAS Number: 1677-79-8
• PubChem SID: 180675339
• PubChem CID: 17995097

CALCULATED PROPERTIES

• Acid pKa: 6.3171635
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.61012816
• LogD (pH = 7.4): -0.3692526
• Log P: 0.6707403
• Molar Refractivity: 30.8636 cm^3
• Polarizability: 11.177552 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%