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

• ChemBase编号: 310171
• 分子式: C13H18BFO3
• 平均质量: 252.0896232
• 单一同位素质量: 252.13330306
• SMILES: B1(c2cc(ccc2OC)F)OC(C(O1)(C)C)(C)C
• Canonical SMILES: COc1ccc(cc1B1OC(C(O1)(C)C)(C)C)F
• InChI: InChI=1S/C13H18BFO3/c1-12(2)13(3,4)18-14(17-12)10-8-9(15)6-7-11(10)16-5/h6-8H,1-5H3
• InChIKey: HFSNSSDHOJSZKI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(5-fluoro-2-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC传统名: 2-(5-fluoro-2-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• 别名: 2-(5-fluoro-2-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.7872
• LogD (pH = 7.4): 3.7872
• Log P: 3.7872
• 摩尔折射率: 62.3927 cm^3
• 极化性: 26.187153 Å^3
• 极化表面积: 27.69 Å^2