2,5-dichloro-3-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase编号: 65589
• 分子式: C12H16BCl2NO3
• 平均质量: 303.97734
• 单一同位素质量: 303.06002914
• SMILES: c1(cnc(c(c1B1OC(C(O1)(C)C)(C)C)OC)Cl)Cl
• Canonical SMILES: COc1c(Cl)ncc(c1B1OC(C(O1)(C)C)(C)C)Cl
• InChI: InChI=1S/C12H16BCl2NO3/c1-11(2)12(3,4)19-13(18-11)8-7(14)6-16-10(15)9(8)17-5/h6H,1-5H3
• InChIKey: AOMBAVWJLXHKGT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,5-dichloro-3-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC传统名: 2,5-dichloro-3-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• 别名: 2,5-Dichloro-3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2,5-Dichloro-3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

登记号

• MDL号: MFCD20487033
• PubChem SID: 162031328
• PubChem CID: 50989179

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.7425
• LogD (pH = 7.4): 3.7425
• Log P: 3.7425
• 摩尔折射率: 70.6903 cm^3
• 极化性: 29.540752 Å^3
• 极化表面积: 40.58 Å^2
• 可自由旋转的化学键: 2
• 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): C12H16BCl2NO3

详细说明

Sigma Aldrich - ADE000225

Other Notes
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