(Z)-2-(2-chloro-4-fluorophenyl)-N'-hydroxyethenimidamide

• ChemBase编号: 53937
• 分子式: C8H8ClFN2O
• 平均质量: 202.6133232
• 单一同位素质量: 202.03091879
• SMILES: c1c(ccc(c1Cl)C/C(=N/O)/N)F
• Canonical SMILES: O/N=C(/Cc1ccc(cc1Cl)F)\N
• InChI: InChI=1S/C8H8ClFN2O/c9-7-4-6(10)2-1-5(7)3-8(11)12-13/h1-2,4,13H,3H2,(H2,11,12)
• InChIKey: ZRXMHYFYQBAPGT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (Z)-2-(2-chloro-4-fluorophenyl)-N'-hydroxyethenimidamide; 2-(2-chloro-4-fluorophenyl)-N'-hydroxyethanimidamide
• IUPAC传统名: (Z)-2-(2-chloro-4-fluorophenyl)-N'-hydroxyethenimidamide; 2-(2-chloro-4-fluorophenyl)-N'-hydroxyethanimidamide
• 别名: 2-(2-Chloro-4-fluoro-phenyl)-N-hydroxy-acetamidine; 2-(2-chloro-4-fluorophenyl)-N'-hydroxyethanimidamide; 2-Chloro-4-fluorophenylacetamidoxime 97%; 2-(2-chloro-4-fluorophenyl)-N'-hydroxyethanimidamide

登记号

• CAS号: 306937-33-7
• MDL号: MFCD02180957
• PubChem SID: 162058700
• PubChem CID: 9581192

理论计算性质

• Acid pKa: 10.020614
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 1.4294304
• LogD (pH = 7.4): 1.6122494
• Log P: 1.6174445
• 摩尔折射率: 48.1528 cm^3
• 极化性: 18.215725 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: 149-151°C

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: 95+%; 97%