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MilliporeSigma

(S)-6-Chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one

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Synonyms: Aryl halide chemistry informer library compound X17

Molecular Formula: C14H9ClF3NO2

Molecular Weight: 315.67

Linear Structural Formula: C14H9ClF3NO2

Melting Point: 135 C

Application: This product is Informer compound X17 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: Chemistry informer libraries: a chemoinformatics enabled approach to evaluate and advance synthetic methods, Chem. Sci., 2016, 7, 2604-2613

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Product Detail
Thomas No.
CHM02H887
Mfr. No.
901753-100MG
Description
901753-100MG, (S)-6-Chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one
CAS Number
154598-52-4
UN Number
UN3077
list price/quantitytotal
$0.00
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