4-bromo-3-chloro-5-nitropyridine

• ChemBase编号: 136631
• 分子式: C5H2BrClN2O2
• 平均质量: 237.43858
• 单一同位素质量: 235.89881699
• SMILES: c1c(c(c(cn1)Cl)Br)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1cncc(c1Br)Cl
• InChI: InChI=1S/C5H2BrClN2O2/c6-5-3(7)1-8-2-4(5)9(10)11/h1-2H
• InChIKey: BFEIQRUZMAVRGH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-bromo-3-chloro-5-nitropyridine
• IUPAC传统名: 4-bromo-3-chloro-5-nitropyridine
• 别名: 4-Bromo-3-chloro-5-nitropyridine

登记号

• CAS号: 1072141-30-0
• MDL号: MFCD11052835
• PubChem SID: 162230901
• PubChem CID: 45361731

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.0683548
• LogD (pH = 7.4): 2.0683548
• Log P: 2.0683548
• 摩尔折射率: 43.6534 cm^3
• 极化性: 16.473467 Å^3
• 极化表面积: 58.71 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C5H2BrClN2O2

详细说明

Sigma Aldrich - ADE000445

Other Notes
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