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

• ChemBase编号: 310160
• 分子式: C14H19BO3
• 平均质量: 246.10986
• 单一同位素质量: 246.14272487
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1cc2c(OCC2)cc1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccc2c(c1)CCO2
• InChI: InChI=1S/C14H19BO3/c1-13(2)14(3,4)18-15(17-13)11-5-6-12-10(9-11)7-8-16-12/h5-6,9H,7-8H2,1-4H3
• InChIKey: RWJUUXWJBMIGKA-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• CAS号: 937591-69-0
• MDL号: MFCD09743046

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.6294
• LogD (pH = 7.4): 3.6294
• Log P: 3.6294
• 摩尔折射率: 65.4859 cm^3
• 极化性: 27.549122 Å^3
• 极化表面积: 27.69 Å^2