2-(benzyloxy)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

• ChemBase ID: 802061
• Molecular Formular: C17H21BN2O3
• Molecular Mass: 312.17124
• Monoisotopic Mass: 312.16452294
• SMILES: c1c(nc(cn1)B1OC(C(O1)(C)C)(C)C)OCc1ccccc1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cncc(n1)OCc1ccccc1
• InChI: InChI=1S/C17H21BN2O3/c1-16(2)17(3,4)23-18(22-16)14-10-19-11-15(20-14)21-12-13-8-6-5-7-9-13/h5-11H,12H2,1-4H3
• InChIKey: FDCUULNRUYCGNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• IUPAC Traditional name: 2-(benzyloxy)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• Synonyms: 2-(BENZYLOXY)-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRAZINE

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.1976995
• LogD (pH = 7.4): 4.1977
• Log P: 4.1977
• Molar Refractivity: 83.1021 cm^3
• Polarizability: 34.32733 Å^3
• Polar Surface Area: 53.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%