3,6-dichloro-4-(propan-2-yl)pyridazine

• ChemBase ID: 801835
• Molecular Formular: C7H8Cl2N2
• Molecular Mass: 191.05782
• Monoisotopic Mass: 190.00645363
• SMILES: n1nc(c(cc1Cl)C(C)C)Cl
• Canonical SMILES: Clc1nnc(c(c1)C(C)C)Cl
• InChI: InChI=1S/C7H8Cl2N2/c1-4(2)5-3-6(8)10-11-7(5)9/h3-4H,1-2H3
• InChIKey: JRZDBBCBIQEJLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dichloro-4-(propan-2-yl)pyridazine
• IUPAC Traditional name: 3,6-dichloro-4-isopropylpyridazine
• Synonyms: 3,6-DICHLORO-4-ISOPROPYLPYRIDAZINE

CALCULATED PROPERTIES

• LogD (pH = 7.4): 2.6692562
• Log P: 2.6692562
• Molar Refractivity: 49.6874 cm^3
• Polarizability: 17.946163 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6692562

PROPERTIES

Product Information

• Purity: 98%