928-47-2 Purity
96%
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Specification
The molecular formula is C15H6CrF18O6.
The molecular weight is 676.17 g/mol.
The IUPAC name is chromium;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one.
The InChI is InChI=1S/3C5H2F6O2.Cr/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*1,12H;/b3*2-1-.
The InChIKey is HWKPDQBCGOIWGE-JVUUZWNBSA-N.
The canonical SMILES is C(=C(C(F)(F)F)O)C(=O)C(F)(F)F.C(=C(C(F)(F)F)O)C(=O)C(F)(F)F.C(=C(C(F)(F)F)O)C(=O)C(F)(F)F.[Cr].
The isomeric SMILES is C(=C(\O)/C(F)(F)F)\C(=O)C(F)(F)F.C(=C(\O)/C(F)(F)F)\C(=O)C(F)(F)F.C(=C(\O)/C(F)(F)F)\C(=O)C(F)(F)F.[Cr].
It has 3 hydrogen bond donor counts.
It has 24 hydrogen bond acceptor counts.
The formal charge is 0.