3-chloro-4-(pyridazin-3-yloxy)aniline

• ChemBase ID: 284314
• Molecular Formular: C10H8ClN3O
• Molecular Mass: 221.64302
• Monoisotopic Mass: 221.03558957
• SMILES: c1(c(cc(N)cc1)Cl)Oc1nnccc1
• Canonical SMILES: Nc1ccc(c(c1)Cl)Oc1cccnn1
• InChI: InChI=1S/C10H8ClN3O/c11-8-6-7(12)3-4-9(8)15-10-2-1-5-13-14-10/h1-6H,12H2
• InChIKey: YVXIPCCFWZUYFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-4-(pyridazin-3-yloxy)aniline
• IUPAC Traditional name: 3-chloro-4-(pyridazin-3-yloxy)aniline
• Synonyms: 3-chloro-4-(pyridazin-3-yloxy)aniline

Database IDs

• MDL Number: MFCD16767765
• PubChem SID: 180669845
• PubChem CID: 17949980

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6430221
• LogD (pH = 7.4): 1.6456335
• Log P: 1.6456668
• Molar Refractivity: 59.8239 cm^3
• Polarizability: 21.928398 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.052

Product Information

• Purity: 95%