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

• ChemBase编号: 802073
• 分子式: C17H20BNO3
• 平均质量: 297.1566
• 单一同位素质量: 297.15362391
• SMILES: n1c(cccc1B1OC(C(O1)(C)C)(C)C)Oc1ccccc1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cccc(n1)Oc1ccccc1
• InChI: InChI=1S/C17H20BNO3/c1-16(2)17(3,4)22-18(21-16)14-11-8-12-15(19-14)20-13-9-6-5-7-10-13/h5-12H,1-4H3
• InChIKey: YIGMOYASMPQPHX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-phenoxy-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC传统名: 2-phenoxy-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• 别名: 2-PHENOXY-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.4147
• LogD (pH = 7.4): 5.4147
• Log P: 5.4147
• 摩尔折射率: 80.424 cm^3
• 极化性: 33.441326 Å^3
• 极化表面积: 40.58 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

产品相关信息

• 纯度: 98%