480425-25-0 Purity
96%
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Specification
The molecular formula is C13H8F3NO3.
The molecular weight is 283.20 g/mol.
The IUPAC name is N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]prop-2-enamide.
The InChI is InChI=1S/C13H8F3NO3/c1-2-11(18)17-7-3-4-8-9(13(14,15)16)6-12(19)20-10(8)5-7/h2-6H,1H2,(H,17,18).
The InChIKey is WJZFVBAYCVHWRE-UHFFFAOYSA-N.
The canonical SMILES is C=CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F.
The CAS number is 480438-94-6.
The EC number is 688-167-1.
The DSSTox Substance ID is DTXSID20403458.
Yes, it is a canonicalized compound.