4-fluoro-N'-(4-fluorobenzoyl)-N'-methylbenzohydrazide

• ChemBase编号: 98880
• 分子式: C15H12F2N2O2
• 平均质量: 290.2647864
• 单一同位素质量: 290.08668407
• SMILES: N(C(=O)c1ccc(cc1)F)(NC(=O)c1ccc(cc1)F)C
• Canonical SMILES: Fc1ccc(cc1)C(=O)NN(C(=O)c1ccc(cc1)F)C
• InChI: InChI=1S/C15H12F2N2O2/c1-19(15(21)11-4-8-13(17)9-5-11)18-14(20)10-2-6-12(16)7-3-10/h2-9H,1H3,(H,18,20)
• InChIKey: ULKNQKSXZBQKRP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-fluoro-N'-(4-fluorobenzoyl)-N'-methylbenzohydrazide
• IUPAC传统名: 4-fluoro-N'-(4-fluorobenzoyl)-N'-methylbenzohydrazide
• 别名: 4-Fluoro-N'-[(4-fluorophenyl)carbonyl]-N-methylbenzohydrazide; N,N'-Bis(4-fluorobenzoyl)methylhydrazine

登记号

• PubChem SID: 162105190
• PubChem CID: 45933725

理论计算性质

• Acid pKa: 13.725018
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.597691
• LogD (pH = 7.4): 2.5976908
• Log P: 2.597691
• 摩尔折射率: 74.0023 cm^3
• 极化性: 26.867962 Å^3
• 极化表面积: 49.41 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 96.6-98.5°C

安全信息

• 保存注意事项: Irritant