2-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

• ChemBase编号: 804802
• 分子式: C10H14BFN2O2
• 平均质量: 224.0397632
• 单一同位素质量: 224.11323632
• SMILES: CC1(C)OB(OC1(C)C)c1cnc(cn1)F
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ncc(nc1)F
• InChI: InChI=1S/C10H14BFN2O2/c1-9(2)10(3,4)16-11(15-9)7-5-14-8(12)6-13-7/h5-6H,1-4H3
• InChIKey: JNZFRBRJZKQLIW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• IUPAC传统名: 2-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• 别名: 5-FLUOROPYRAZINE-2-BORONIC ACID PINACOL ESTER

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.5719
• LogD (pH = 7.4): 2.5719
• Log P: 2.5719
• 摩尔折射率: 52.9439 cm^3
• 极化性: 21.928848 Å^3
• 极化表面积: 44.24 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%