CAS
621-56-7 Purity
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621-56-7 Purity
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Specification
The molecular formula is C4H6F3NO2.
The molecular weight is 157.09 g/mol.
The IUPAC name is 2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide.
The InChI is InChI=1S/C4H6F3NO2/c5-4(6,7)3(10)8-1-2-9/h9H,1-2H2,(H,8,10).
The InChIKey is NPSVCXHBJVBBAD-UHFFFAOYSA-N.
The canonical SMILES is C(CO)NC(=O)C(F)(F)F.
The CAS number is 6974-29-4.
The XLogP3-AA value is 0.
The hydrogen bond donor count is 2.
Yes, N-(2-Hydroxyethyl)trifluoroacetamide is a canonicalized compound.