CAS
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Specification
The molecular formula is C5H5F3N2O.
The molecular weight is 166.10 g/mol.
The IUPAC name is 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one.
The InChI is InChI=1S/C5H5F3N2O/c1-10-4(11)2-3(9-10)5(6,7)8/h2H2,1H3.
The InChIKey is SYHYFYSGUQRNRS-UHFFFAOYSA-N.
The canonical SMILES is CN1C(=O)CC(=N1)C(F)(F)F.
The CAS number is 1481-02-3.
The European Community (EC) number is 671-953-3.
The ChEMBL ID is CHEMBL1429911.
Yes, it is a canonicalized compound.