2-(1-benzofuran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase编号: 310206
• 分子式: C14H17BO3
• 平均质量: 244.09398
• 单一同位素质量: 244.1270748
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1cc2occc2cc1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccc2c(c1)occ2
• InChI: InChI=1S/C14H17BO3/c1-13(2)14(3,4)18-15(17-13)11-6-5-10-7-8-16-12(10)9-11/h5-9H,1-4H3
• InChIKey: MHDVSQAMAAZZEG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(1-benzofuran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC传统名: 2-(1-benzofuran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• 别名: 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran

登记号

• CAS号: 934329-77-8

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.1792
• LogD (pH = 7.4): 4.1792
• Log P: 4.1792
• 摩尔折射率: 64.5542 cm^3
• 极化性: 28.398106 Å^3
• 极化表面积: 31.6 Å^2