2-(2-fluoro-4-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase编号: 810230
• 分子式: C18H20BFO2
• 平均质量: 298.1596032
• 单一同位素质量: 298.1540385
• SMILES: O1B(OC(C1(C)C)(C)C)c1c(cc(cc1)c1ccccc1)F
• Canonical SMILES: Fc1cc(ccc1B1OC(C(O1)(C)C)(C)C)c1ccccc1
• InChI: InChI=1S/C18H20BFO2/c1-17(2)18(3,4)22-19(21-17)15-11-10-14(12-16(15)20)13-8-6-5-7-9-13/h5-12H,1-4H3
• InChIKey: GVDVTJCHDGZBAD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2-fluoro-4-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC传统名: 2-(2-fluoro-4-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• 别名: 2-(3-FLUOROBIPHENYL-4-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

登记号

• CAS号: 1244021-15-5

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.7243
• LogD (pH = 7.4): 5.7243
• Log P: 5.7243
• 摩尔折射率: 81.0657 cm^3
• 极化性: 34.622402 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

产品相关信息

• 纯度: 98%