4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine

• ChemBase ID: 310199
• Molecular Formular: C10H15BN2O2
• Molecular Mass: 206.0493
• Monoisotopic Mass: 206.12265813
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1cnncc1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccnnc1
• InChI: InChI=1S/C10H15BN2O2/c1-9(2)10(3,4)15-11(14-9)8-5-6-12-13-7-8/h5-7H,1-4H3
• InChIKey: GVGODOIZAKSPFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine
• IUPAC Traditional name: 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine
• Synonyms: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine

Database IDs

• CAS Number: 863422-41-7
• MDL Number: MFCD09952053

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.257996
• LogD (pH = 7.4): 1.2579999
• Log P: 1.258
• Molar Refractivity: 53.4195 cm^3
• Polarizability: 22.220028 Å^3
• Polar Surface Area: 44.24 Å^2

PROPERTIES

Product Information

• Purity: 98%