(Z)-2-(4-chlorophenyl)-N'-hydroxyethenimidamide

• ChemBase编号: 124490
• 分子式: C8H9ClN2O
• 平均质量: 184.62286
• 单一同位素质量: 184.0403406
• SMILES: C(=N\O)(/Cc1ccc(Cl)cc1)\N
• Canonical SMILES: O/N=C(/Cc1ccc(cc1)Cl)\N
• InChI: InChI=1S/C8H9ClN2O/c9-7-3-1-6(2-4-7)5-8(10)11-12/h1-4,12H,5H2,(H2,10,11)
• InChIKey: MLNLOCIMTRRCHX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (Z)-2-(4-chlorophenyl)-N'-hydroxyethenimidamide; 2-(4-chlorophenyl)-N'-hydroxyethanimidamide
• IUPAC传统名: (Z)-2-(4-chlorophenyl)-N'-hydroxyethenimidamide; 2-(4-chlorophenyl)-N'-hydroxyethanimidamide
• 别名: (Z)-2-(4-chlorophenyl)-N'-hydroxyacetimidamide; 2-(4-chlorophenyl)-N'-hydroxyethanimidamide

登记号

• MDL号: MFCD00844471
• PubChem SID: 162218843
• PubChem CID: 5356868

理论计算性质

• Acid pKa: 10.690806
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 1.2453958
• LogD (pH = 7.4): 1.4704095
• Log P: 1.4747427
• 摩尔折射率: 47.9364 cm^3
• 极化性: 18.447613 Å^3
• 极化表面积: 58.61 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 96 - 98°C
• 疏水性(logP): 2.07

产品相关信息

• 纯度: 95%