6-chloro-2,3-dimethoxypyridine

• ChemBase编号: 32495
• 分子式: C7H8ClNO2
• 平均质量: 173.59692
• 单一同位素质量: 173.02435618
• SMILES: c1(c(nc(cc1)Cl)OC)OC
• Canonical SMILES: COc1nc(Cl)ccc1OC
• InChI: InChI=1S/C7H8ClNO2/c1-10-5-3-4-6(8)9-7(5)11-2/h3-4H,1-2H3
• InChIKey: RIBNMZVQKQHUSA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-chloro-2,3-dimethoxypyridine
• IUPAC传统名: 6-chloro-2,3-dimethoxypyridine
• 别名: 6-Chloro-2,3-dimethoxypyridine; 6-Chloro-2,3-dimethoxypyridine

登记号

• CAS号: 1087659-30-0
• MDL号: MFCD11857641
• PubChem SID: 160995802
• PubChem CID: 45361765

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.8589102
• LogD (pH = 7.4): 1.8589102
• Log P: 1.8589102
• 摩尔折射率: 43.0071 cm^3
• 极化性: 16.4595 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): C7H8ClNO2

详细说明

Sigma Aldrich - ADE000503

Other Notes
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