901744
2-(5-(3-(4-(2-Bromo-5-fluorophenoxy)piperidin-1-yl)isoxazol-5-yl)-2H-tetrazol-2-yl)acetic acid
Synonym(s):
Aryl halide chemistry informer library compound X9
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About This Item
Empirical Formula (Hill Notation):
C17H16BrFN6O4
CAS Number:
Molecular Weight:
467.25
UNSPSC Code:
12352106
NACRES:
NA.22
MDL number:
Form:
powder or crystals
form
powder or crystals
availability
available only in USA
functional group
bromo, carboxylic acid, fluoro
SMILES string
Fc1cc(c(cc1)Br)OC2CCN(CC2)c3n[o]c(c3)c4n[n](nn4)CC(=O)O
InChI
1S/C17H16BrFN6O4/c18-12-2-1-10(19)7-13(12)28-11-3-5-24(6-4-11)15-8-14(29-22-15)17-20-23-25(21-17)9-16(26)27/h1-2,7-8,11H,3-6,9H2,(H,26,27)
InChI key
UJEAABFSXKCSGI-UHFFFAOYSA-N
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.
Other Notes
Disclaimer
Not Fully Tested.
signalword
Danger
hcodes
Hazard Classifications
Self-react. C
Storage Class
5.2 - Organic peroxides and self-reacting hazardous materials
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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