110-73-6 Purity
98%
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Specification
The molecular formula is C7H12F3NO2.
The molecular weight is 199.17 g/mol.
The IUPAC name is 2,2,2-trifluoro-N-(5-hydroxypentyl)acetamide.
The InChI code is InChI=1S/C7H12F3NO2/c8-7(9,10)6(13)11-4-2-1-3-5-12/h12H,1-5H2,(H,11,13).
The InChIKey is SCHGQSPQAJAJRI-UHFFFAOYSA-N.
The canonical SMILES is C(CCNC(=O)C(F)(F)F)CCO.
The CAS number is 128238-44-8.
The European Community (EC) number is 621-300-3.
The DSSTox Substance ID is DTXSID60403497.
Yes, N-(5-Hydroxypentyl)trifluoroacetamide is canonicalized.