4-[(6-chloropyridazin-3-yl)oxy]aniline

• ChemBase ID: 274389
• Molecular Formular: C10H8ClN3O
• Molecular Mass: 221.64302
• Monoisotopic Mass: 221.03558957
• SMILES: n1nc(Cl)ccc1Oc1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)Oc1ccc(nn1)Cl
• InChI: InChI=1S/C10H8ClN3O/c11-9-5-6-10(14-13-9)15-8-3-1-7(12)2-4-8/h1-6H,12H2
• InChIKey: GJDYWPMIYVBINY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(6-chloropyridazin-3-yl)oxy]aniline
• IUPAC Traditional name: 4-[(6-chloropyridazin-3-yl)oxy]aniline
• Synonyms: 4-[(6-chloropyridazin-3-yl)oxy]aniline

Database IDs

• MDL Number: MFCD12779306
• PubChem SID: 164330299
• PubChem CID: 10680523

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8584955
• LogD (pH = 7.4): 1.8657508
• Log P: 1.865844
• Molar Refractivity: 60.8852 cm^3
• Polarizability: 21.982517 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 105 - 107°C
• Hydrophobicity(logP): 1.151

Product Information

• Purity: 95%