2-[3,5-bis(trifluoromethyl)benzoyl]benzoyl chloride

• ChemBase编号: 95734
• 分子式: C16H7ClF6O2
• 平均质量: 380.6689992
• 单一同位素质量: 380.00387646
• SMILES: O=C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1C(=O)Cl
• Canonical SMILES: O=C(c1ccccc1C(=O)Cl)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C16H7ClF6O2/c17-14(25)12-4-2-1-3-11(12)13(24)8-5-9(15(18,19)20)7-10(6-8)16(21,22)23/h1-7H
• InChIKey: SGWYOXCDPDGCST-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[3,5-bis(trifluoromethyl)benzoyl]benzoyl chloride
• IUPAC传统名: 2-[3,5-bis(trifluoromethyl)benzoyl]benzoyl chloride
• 别名: 2-[3,5-bis(trifluoromethyl)benzoyl]benzoyl chloride

登记号

• MDL号: MFCD01570125
• PubChem SID: 162082383
• PubChem CID: 2780309

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.3792086
• LogD (pH = 7.4): 5.3792086
• Log P: 5.3792086
• 摩尔折射率: 79.6956 cm^3
• 极化性: 28.364841 Å^3
• 极化表面积: 34.14 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false