2,6-diiodo-3,5-dimethoxypyridine

• ChemBase编号: 32492
• 分子式: C7H7I2NO2
• 平均质量: 390.94492
• 单一同位素质量: 390.85662447
• SMILES: c1(c(nc(c(c1)OC)I)I)OC
• Canonical SMILES: COc1cc(OC)c(nc1I)I
• InChI: InChI=1S/C7H7I2NO2/c1-11-4-3-5(12-2)7(9)10-6(4)8/h3H,1-2H3
• InChIKey: HEJVCFGXTPOHNW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,6-diiodo-3,5-dimethoxypyridine
• IUPAC传统名: 2,6-diiodo-3,5-dimethoxypyridine
• 别名: 2,6-Diiodo-3,5-dimethoxypyridine; 2,6-Diiodo-3,5-dimethoxypyridine

登记号

• CAS号: 1131335-49-3
• MDL号: MFCD11857638
• PubChem SID: 160995799
• PubChem CID: 46736749

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.363295
• LogD (pH = 7.4): 2.363295
• Log P: 2.363295
• 摩尔折射率: 62.9687 cm^3
• 极化性: 25.490898 Å^3
• 极化表面积: 31.35 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): C7H7I2NO2

详细说明

Sigma Aldrich - ADE000500

Other Notes
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