2-[4-(4-methoxyphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase编号: 297927
• 分子式: C19H23BO3
• 平均质量: 310.19512
• 单一同位素质量: 310.174025
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc(cc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)16-10-6-14(7-11-16)15-8-12-17(21-5)13-9-15/h6-13H,1-5H3
• InChIKey: XIWRWTPGYBTKPL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[4-(4-methoxyphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC传统名: 2-[4-(4-methoxyphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• 别名: 4-(4-甲氧基联苯基)硼酸频哪醇酯; 2-(4'-Methoxy-4-biphenylyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 4-(4-Methoxyphenyl)benzeneboronic acid pinacol ester; 4'-Methoxybiphenyl-4-boronic acid pinacol ester

登记号

• MDL号: MFCD16294530
• PubChem SID: 180683458
• PubChem CID: 71306529

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.3321
• LogD (pH = 7.4): 5.3321
• Log P: 5.3321
• 摩尔折射率: 87.3125 cm^3
• 极化性: 37.528515 Å^3
• 极化表面积: 27.69 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

安全信息

• TSCA收录: 否

产品相关信息

• 纯度: 95%