5-chloro-3-(dimethoxymethyl)-4-iodo-2-methoxypyridine

• ChemBase编号: 65584
• 分子式: C9H11ClINO3
• 平均质量: 343.54601
• 单一同位素质量: 342.9472189
• SMILES: c1(cnc(c(c1I)C(OC)OC)OC)Cl
• Canonical SMILES: COC(c1c(OC)ncc(c1I)Cl)OC
• InChI: InChI=1S/C9H11ClINO3/c1-13-8-6(9(14-2)15-3)7(11)5(10)4-12-8/h4,9H,1-3H3
• InChIKey: CPBPIESCUUJZRD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-chloro-3-(dimethoxymethyl)-4-iodo-2-methoxypyridine
• IUPAC传统名: 5-chloro-3-(dimethoxymethyl)-4-iodo-2-methoxypyridine
• 别名: 5-Chloro-3-(dimethoxymethyl)-4-iodo-2-methoxypyridine; 5-Chloro-3-(dimethoxymethyl)-4-iodo-2-methoxypyridine

登记号

• MDL号: MFCD20487018
• PubChem SID: 162031323
• PubChem CID: 50989165

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.8800278
• LogD (pH = 7.4): 2.880028
• Log P: 2.880028
• 摩尔折射率: 66.1933 cm^3
• 极化性: 26.184244 Å^3
• 极化表面积: 40.58 Å^2
• 可自由旋转的化学键: 4
• 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): C9H11ClINO3

详细说明

Sigma Aldrich - ADE000203

Other Notes
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