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640287-99-6

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640287-99-6 Structure

640287-99-6 Structure
IdentificationBack 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 PropertiesBack 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 DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack 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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