640287-99-6

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640287-99-6 Structure

Identification	Back Directory
[Name] 1-[3-[[[(1,1-Dimethylethoxy)carbonyl]amino]methyl]phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
[CAS] 640287-99-6
[Synonyms] Berotralstat Impurity 2 Berotralstat Related Compound 2 1-(3-(((Tert-butoxycarbonyl)amino)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid 1-[3-[[[(1,1-Dimethylethoxy)carbonyl]amino]methyl]phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid 1H-Pyrazole-5-carboxylic acid, 1-[3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]phenyl]-3-(trifluoromethyl)-
[Molecular Formula] C17H18F3N3O4
[MDL Number] MFCD34473237
[MOL File] 640287-99-6.mol
[Molecular Weight] 385.338

Chemical Properties	Back Directory
[storage temp. ] 2-8°C
[form ] powder or crystals
[color ] white to yellow
[InChI] 1S/C17H18F3N3O4/c1-16(2,3)27-15(26)21-9-10-5-4-6-11(7-10)23-12(14(24)25)8-13(22-23)17(18,19)20/h4-8H,9H2,1-3H3,(H,21,26)(H,24,25)
[InChIKey] QDUCUBXLXCUHIP-UHFFFAOYSA-N
[SMILES] O=C(O)C1=CC(=NN1C2=CC=CC(=C2)CNC(=O)OC(C)(C)C)C(F)(F)F

Safety Data	Back Directory
[WGK Germany ] WGK 3
[Storage Class] 11 - Combustible Solids

Spectrum Detail	Back Directory
[Spectrum Detail] 1-[3-[[[(1,1-Dimethylethoxy)carbonyl]amino]methyl]phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid(640287-99-6)¹HNMR 1-[3-[[[(1,1-Dimethylethoxy)carbonyl]amino]methyl]phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid(640287-99-6)¹⁹FNMR

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