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2,2-Diphenyl-N-(2,2,2-trichloro-1-[3-(4-fluoro-3-nitrophenyl)thioureido]ethyl)acetamide
2,2-Diphenyl-N-(2,2,2-trichloro-1-[3-(4-fluoro-3-nitrophenyl)thioureido]ethyl)acetamide
化学名:2,2-Diphenyl-N-(2,2,2-trichloro-1-[3-(4-fluoro-3-nitrophenyl)thioureido]ethyl)acetamide
CAS番号.905973-89-9
英語名:2,2-Diphenyl-N-(2,2,2-trichloro-1-[3-(4-fluoro-3-nitrophenyl)thioureido]ethyl)acetamide
CBNumberCB0802213
MFC23H18Cl3FN4O3S
MW555.84
MOL File905973-89-9.mol
2,2-Diphenyl-N-(2,2,2-trichloro-1-[3-(4-fluoro-3-nitrophenyl)thioureido]ethyl)acetamide物理性質
| 比重(密度) | 1.502±0.06 g/cm3(Predicted) |
| 貯蔵温度 | Sealed in dry,2-8°C |
| 溶解性 | ≥27.8 mg/mL in DMSO; insoluble in H2O; ≥5.55 mg/mL in EtOH with gentle warming and ultrasonic |
| 酸解離定数(Pka) | 10.15±0.70(Predicted) |
| 外見 | 淡黄色固体 |
| 色 | White to off-white |
| InChI | 1S/C23H18Cl3FN4O3S/c24-23(25,26)21(30-22(35)28-16-11-12-17(27)18(13-16)31(33)34)29-20(32)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,21H,(H,29,32)(H2,28,30,35) |
| InChIKey | HLCDNLNLQNYZTK-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1cc(NC(=S)NC(NC(=O)C(c2ccccc2)c3ccccc3)C(Cl)(Cl)Cl)ccc1F |