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Merck
CN
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安全信息

901745

Sigma-Aldrich

5-Bromo-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide

≥90%

别名:

Aryl halide chemistry informer library compound X10

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About This Item

经验公式（希尔记法）:
C16H11BrFN3O2
CAS号:
410544-56-8
分子量:
376.18
MDL编号:
MFCD20270598
UNSPSC代码:
12352111
NACRES:
NA.22

方案

≥90%

表单

solid

官能团

amide
bromo
fluoro

SMILES字符串

Fc1ccc(cc1)CNC(=O)c2nc(c3c(nccc3)c2O)Br

InChI key

VRVGOUHPADQNHC-UHFFFAOYSA-N

相关类别

应用

This product is Informer compound X10 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

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储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

法规信息

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Peter S Kutchukian et al.
Chemical science, 7(4), 2604-2613 (2016-04-21)
Major new advances in synthetic chemistry methods are typically reported using simple, non-standardized reaction substrates, and reaction failures are rarely documented. This makes the evaluation and choice of a synthetic method difficult. We report a standardized complex molecule diagnostic approach

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