2,5-dichloro-4-iodo-3-methoxypyridine

• ChemBase编号: 54570
• 分子式: C6H4Cl2INO
• 平均质量: 303.91253
• 单一同位素质量: 302.87146711
• SMILES: c1(cnc(c(c1I)OC)Cl)Cl
• Canonical SMILES: COc1c(Cl)ncc(c1I)Cl
• InChI: InChI=1S/C6H4Cl2INO/c1-11-5-4(9)3(7)2-10-6(5)8/h2H,1H3
• InChIKey: QYJDLVDZZPZJAH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,5-dichloro-4-iodo-3-methoxypyridine
• IUPAC传统名: 2,5-dichloro-4-iodo-3-methoxypyridine
• 别名: 2,5-Dichloro-4-iodo-3-methoxypyridine; 2,5-Dichloro-4-iodo-3-methoxypyridine

登记号

• MDL号: MFCD18803486
• PubChem SID: 162059333
• PubChem CID: 50989199

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.9551132
• LogD (pH = 7.4): 2.9551132
• Log P: 2.9551132
• 摩尔折射率: 54.3977 cm^3
• 极化性: 21.335442 Å^3
• 极化表面积: 22.12 Å^2
• 可自由旋转的化学键: 1
• 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): C6H4Cl2INO

详细说明

Sigma Aldrich - ADE000200

Other Notes
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