CAS
1123169-27-6 Purity
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1123169-27-6 Purity
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Specification
The molecular formula is C6H8F3NO2.
The molecular weight is 183.13 g/mol.
The IUPAC name is (E)-4,4,4-trifluoro-N-methoxy-N-methylbut-2-enamide.
The InChI is InChI=1S/C6H8F3NO2/c1-10(12-2)5(11)3-4-6(7,8)9/h3-4H,1-2H3/b4-3+.
The InChIKey is SXKYBBUJTGYOIJ-ONEGZZNKSA-N.
The canonical SMILES is CN(C(=O)C=CC(F)(F)F)OC.
The isomeric SMILES is CN(C(=O)/C=C/C(F)(F)F)OC.
The XLogP3-AA value is 1.1.
It has 0 hydrogen bond donor counts.
It has 5 hydrogen bond acceptor counts.