2,3-dimethoxy-5-(trifluoromethyl)pyridine

• ChemBase编号: 54483
• 分子式: C8H8F3NO2
• 平均质量: 207.1498296
• 单一同位素质量: 207.05071316
• SMILES: c1(cnc(c(c1)OC)OC)C(F)(F)F
• Canonical SMILES: COc1cc(cnc1OC)C(F)(F)F
• InChI: InChI=1S/C8H8F3NO2/c1-13-6-3-5(8(9,10)11)4-12-7(6)14-2/h3-4H,1-2H3
• InChIKey: YGZKUUOTWBKZIM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,3-dimethoxy-5-(trifluoromethyl)pyridine
• IUPAC传统名: 2,3-dimethoxy-5-(trifluoromethyl)pyridine
• 别名: 2,3-Dimethoxy-5-(trifluoromethyl)pyridine; 2,3-Dimethoxy-5-(trifluoromethyl)pyridine

登记号

• MDL号: MFCD16610902
• PubChem SID: 162059246
• PubChem CID: 14837016

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.9124805
• LogD (pH = 7.4): 1.9125361
• Log P: 1.9125369
• 摩尔折射率: 43.1147 cm^3
• 极化性: 15.842458 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): C8H8F3NO2

详细说明

Sigma Aldrich - ADE000160

Other Notes
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