tert-butyl 4-(trifluoromethyl)benzoate结构式
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常用名 | tert-butyl 4-(trifluoromethyl)benzoate | 英文名 | tert-butyl 4-(trifluoromethyl)benzoate |
|---|---|---|---|---|
| CAS号 | 196934-20-0 | 分子量 | 246.22600 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C12H13F3O2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | N/A |
| 英文名 | tert-butyl 4-(trifluoromethyl)benzoate |
|---|---|
| 英文别名 | 更多 |
| 分子式 | C12H13F3O2 |
|---|---|
| 分子量 | 246.22600 |
| 精确质量 | 246.08700 |
| PSA | 26.30000 |
| LogP | 3.66070 |
| InChIKey | PIEAJQRJRYBARO-UHFFFAOYSA-N |
| SMILES | CC(C)(C)OC(=O)c1ccc(C(F)(F)F)cc1 |
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~66%
tert-butyl 4-(t... 196934-20-0 |
| 文献:Xin, Zhuo; Gogsig, Thomas M.; Lindhardt, Anders T.; Skrydstrup, Troels Organic Letters, 2012 , vol. 14, # 1 p. 284 - 287 |
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~76%
tert-butyl 4-(t... 196934-20-0 |
| 文献:Zhu, Yefeng; Wei, Yunyang RSC Advances, 2013 , vol. 3, # 33 p. 13668 - 13670 |
|
~92%
tert-butyl 4-(t... 196934-20-0 |
| 文献:Stanton, Matthew G.; Gagne, Michel R. Journal of Organic Chemistry, 1997 , vol. 62, # 23 p. 8240 - 8242 |
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~56%
tert-butyl 4-(t... 196934-20-0 |
| 文献:Andrieux, Claude P.; Combellas, Catherine; Kanoufi, Frederic; Saveant, Jean-Michel; Thiebault, Andre Journal of the American Chemical Society, 1997 , vol. 119, # 40 p. 9527 - 9540 |
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~%
tert-butyl 4-(t... 196934-20-0 |
| 文献:Del Giacco, Tiziana; Rol, Cesare; Sebastiani, Giovanni V. Journal of Physical Organic Chemistry, 2003 , vol. 16, # 2 p. 127 - 132 |
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~%
tert-butyl 4-(t... 196934-20-0 |
| 文献:Stanton, Matthew G. Journal of the American Chemical Society, 1998 , vol. 120, # 24 p. 5981 - 5989 |
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实验名称:Octanol-water partition coefficient, log P of the compound at pH 10 to 11 by HPLC ana...
来源:ChEMBL
靶标:N/A
External Id:CHEMBL3992812
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实验名称:Aqueous solubility of the compound in pH 6.8 buffer incubated for 24 hrs under shakin...
来源:ChEMBL
靶标:N/A
External Id:CHEMBL4618329
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实验名称:Equilibrium thermodynamic aqueous solubility of the compound in pH 6.8 buffer incubat...
来源:ChEMBL
靶标:N/A
External Id:CHEMBL4618330
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实验名称:Equilibrium thermodynamic aqueous solubility of the compound at 0.5 to 5 mg after 2 t...
来源:ChEMBL
靶标:N/A
External Id:CHEMBL3992820
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实验名称:Solubility of the compound in acetonitrile/water mixture at 10 mM measured after 24 b...
来源:ChEMBL
靶标:N/A
External Id:CHEMBL3992819
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| Benzoic acid,4-(trifluoromethyl)-,1,1-dimethylethyl ester |
| 4-(trifluoromethyl)benzoic acid t-butyl ester |