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

• ChemBase编号: 291278
• 分子式: C10H14BBrO2S
• 平均质量: 288.99696
• 单一同位素质量: 287.99909309
• SMILES: CC1(C)C(C)(C)OB(c2cc(Br)cs2)O1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1scc(c1)Br
• InChI: InChI=1S/C10H14BBrO2S/c1-9(2)10(3,4)14-11(13-9)8-5-7(12)6-15-8/h5-6H,1-4H3
• InChIKey: XOLVNUOSAPZSLF-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• CAS号: 942070-06-6
• MDL号: MFCD08063135
• PubChem SID: 180676809
• PubChem CID: 53398058

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.2861
• LogD (pH = 7.4): 4.2861
• Log P: 4.2861
• 摩尔折射率: 59.6016 cm^3
• 极化性: 25.508823 Å^3
• 极化表面积: 18.46 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: 95+%