2-(5-(3-(4-(2-Bromo-5-fluorophenoxy)piperidin-1-yl)isoxazol-5-yl)-2H-tetrazol-2-yl)acetic acid
ALDRICH/901744
Synonym: Aryl halide chemistry informer library compound X9
CAS Number: 1030612-90-8
Empirical Formula (Hill Notation): C17H16BrFN6O4
Molecular Weight: 467.25
MDL Number: MFCD20039622
Linear Formula: C17H16BrFN6O4
Product Type: Chemical
availability | available only in USA |
form | powder or crystals |
InChI | 1S/C17H16BrFN6O4/c18-12-2 |
InChI key | UJEAABFSXKCSGI-UHFFFAOYSA |
Application: | This product is Informer compound X9 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. |
Caution: | Not Fully Tested. |
Other Notes: | 1.Chemistry informer libraries: a chemoinformatics enabled approach to evaluate and advance synthetic methods, Chem. Sci., 2016, 7, 2604-2613 2.Synthesis of Complex Druglike Molecules by the Use of Highly Functionalized Bench-Stable Organozinc Reagents |
Symbol | GHS02 |
Signal word | Danger |
Hazard statements | H242 |
Precautionary statements | P210 - P234 - P235 - P240 - P370 + P378 - P403 |
RIDADR | NONH for all modes of transport |
WGK Germany | WGK 3 |
Flash Point(F) | Not applicable |
Flash Point(C) | Not applicable |
UNSPSC | 12352106 |