产品介绍：
产品说明
应用
This product is informer compound X11 of the Aryl Halide Chemistry Informer Library developed by chemists at Merck & Co., Inc., Kenilworth, NJ, U.S., which contains 18 drug-like molecules representative of those encountered in complex synthesis. By screening a new reaction against the Informer Library, chemists can directly compare and analyse a reaction′s successes and shortcomings among different methods and various research teams. It may also be used to facilitate deeper method development for performance or utility.
注意
Not Fully Tested.
其他说明
1.Chemistry informer libraries: a chemoinformatics enabled approach to evaluate and advance synthetic methods, Chem. Sci., 2016, 7, 2604-2613
基本信息
| 经验(实验)分子式 | C20H15BrN6O |
| 分子量 | 435.28 |
| MDL编号 | MFCD09837879 |
| NACRES | NA.22 |
产品性质
| 形式 | powder |
| mp | 246-251 ℃ |
| InChI | 1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27) |
| InChI key | PYGWGZALEOIKDF-UHFFFAOYSA-N |
安全信息
| 象形图 |  |
| 警示用语： | Warning |
| 危险声明 | H410 |
| 预防措施声明 | P273 - P391 - P501 |
| 危险分类 | Aquatic Acute 1 - Aquatic Chronic 1 |
| 储存分类代码 | 11 - Combustible Solids |
| WGK | WGK 3 |
| 闪点(F) | Not applicable |
| 闪点(C) | Not applicable |
