5-bromo-2-[2-(trimethylsilyl)ethynyl]pyridin-3-yl tert-butyl carbonate

• ChemBase编号: 44892
• 分子式: C15H20BrNO3Si
• 平均质量: 370.3137
• 单一同位素质量: 369.03958204
• SMILES: c1(cnc(c(c1)OC(=O)OC(C)(C)C)C#C[Si](C)(C)C)Br
• Canonical SMILES: O=C(OC(C)(C)C)Oc1cc(Br)cnc1C#C[Si](C)(C)C
• InChI: InChI=1S/C15H20BrNO3Si/c1-15(2,3)20-14(18)19-13-9-11(16)10-17-12(13)7-8-21(4,5)6/h9-10H,1-6H3
• InChIKey: KVRNXNSZICMLQI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-bromo-2-[2-(trimethylsilyl)ethynyl]pyridin-3-yl tert-butyl carbonate
• IUPAC传统名: 5-bromo-2-[2-(trimethylsilyl)ethynyl]pyridin-3-yl tert-butyl carbonate
• 别名: 5-Bromo-2-((trimethylsilyl)ethynyl)pyridin-3-yl tert-butyl carbonate; 5-Bromo-2-((trimethylsilyl)ethynyl)pyridin-3-yl tert-butyl carbonate

登记号

• CAS号: 1186310-92-8
• MDL号: MFCD12922747
• PubChem SID: 162049655
• PubChem CID: 46737829

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.882788
• LogD (pH = 7.4): 4.8827996
• Log P: 4.8828
• 摩尔折射率: 77.9501 cm^3
• 极化性: 33.95365 Å^3
• 极化表面积: 48.42 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C15H20BrNO3Si

详细说明

Sigma Aldrich - ADE000559

Other Notes
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