3-methoxy-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine

• ChemBase ID: 806702
• Molecular Formular: C11H17BN2O3
• Molecular Mass: 236.07528
• Monoisotopic Mass: 236.13322281
• SMILES: CC1(C)OB(OC1(C)C)c1nnc(cc1)OC
• Canonical SMILES: COc1ccc(nn1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H17BN2O3/c1-10(2)11(3,4)17-12(16-10)8-6-7-9(15-5)14-13-8/h6-7H,1-5H3
• InChIKey: HBCFWSVVCLCTDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine
• IUPAC Traditional name: 3-methoxy-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine
• Synonyms: 6-METHOXYPYRIDAZINE-3-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.4025
• LogD (pH = 7.4): 2.4025
• Log P: 2.4025
• Molar Refractivity: 60.5097 cm^3
• Polarizability: 24.760393 Å^3
• Polar Surface Area: 53.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%