3-bromo-4-methylphenoxy(tert-butyl)dimethylsilane

• ChemBase编号: 293142
• 分子式: C13H21BrOSi
• 平均质量: 301.29474
• 单一同位素质量: 300.05450382
• SMILES: C[Si](C(C)(C)C)(Oc1ccc(C)c(Br)c1)C
• Canonical SMILES: Cc1ccc(cc1Br)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C13H21BrOSi/c1-10-7-8-11(9-12(10)14)15-16(5,6)13(2,3)4/h7-9H,1-6H3
• InChIKey: ADPIXAMOGQEKLF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-bromo-4-methylphenoxy(tert-butyl)dimethylsilane; (3-bromo-4-methylphenoxy)(tert-butyl)dimethylsilane
• IUPAC传统名: 3-bromo-4-methylphenoxy(tert-butyl)dimethylsilane
• 别名: (3-Bromo-4-methylphenoxy)(tert-butyl)dimethylsilane

登记号

• CAS号: 164513-48-8
• PubChem SID: 180678673
• PubChem CID: 19437122

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.2389
• LogD (pH = 7.4): 5.2389
• Log P: 5.2389
• 摩尔折射率: 70.551 cm^3
• 极化性: 29.459887 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

产品相关信息

• 纯度: 95+%; 97%