2-bromo-3-methoxy-6-(methoxymethyl)pyridine

• ChemBase编号: 65586
• 分子式: C8H10BrNO2
• 平均质量: 232.0745
• 单一同位素质量: 230.98949057
• SMILES: c1c(nc(c(c1)OC)Br)COC
• Canonical SMILES: COCc1ccc(c(n1)Br)OC
• InChI: InChI=1S/C8H10BrNO2/c1-11-5-6-3-4-7(12-2)8(9)10-6/h3-4H,5H2,1-2H3
• InChIKey: GBGXVHJSYOHSJE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-bromo-3-methoxy-6-(methoxymethyl)pyridine
• IUPAC传统名: 2-bromo-3-methoxy-6-(methoxymethyl)pyridine
• 别名: 2-Bromo-3-methoxy-6-(methoxymethyl)pyridine; 2-Bromo-3-methoxy-6-(methoxymethyl)pyridine

登记号

• MDL号: MFCD20487023
• PubChem SID: 162031325
• PubChem CID: 50989298

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.5294243
• LogD (pH = 7.4): 1.5294254
• Log P: 1.5294254
• 摩尔折射率: 49.8742 cm^3
• 极化性: 19.28337 Å^3
• 极化表面积: 31.35 Å^2
• 可自由旋转的化学键: 3
• 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): C8H10BrNO2

详细说明

Sigma Aldrich - ADE000221

Other Notes
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