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

• ChemBase ID: 802062
• Molecular Formular: C16H19BN2O3
• Molecular Mass: 298.14466
• Monoisotopic Mass: 298.14887288
• SMILES: c1c(nc(cn1)B1OC(C(O1)(C)C)(C)C)Oc1ccccc1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cncc(n1)Oc1ccccc1
• InChI: InChI=1S/C16H19BN2O3/c1-15(2)16(3,4)22-17(21-15)13-10-18-11-14(19-13)20-12-8-6-5-7-9-12/h5-11H,1-4H3
• InChIKey: CNQLBKGOTHHQNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.1028
• LogD (pH = 7.4): 4.1028
• Log P: 4.1028
• Molar Refractivity: 78.2671 cm^3
• Polarizability: 32.546597 Å^3
• Polar Surface Area: 53.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%