Synonyms
Tetrakis(trifluoro-2,4-pentanedionato)zirconium(IV);Trifluoroacetylacetono Zirconium(IV) Salt;17499-68-2;
IUPAC Name
(E)-1,1,1-trifluoro-4-oxopent-2-en-2-olate;zirconium(4+);
Molecular Weight
703.545g/mol
Molecular Formula
C20H16F12O8Zr;
Canonical SMILES
CC(=O)C=C(C(F)(F)F)[O-].CC(=O)C=C(C(F)(F)F)[O-].CC(=O)C=C(C(F)(F)F)[O-].CC(=O)C=C(C(F)(F)F)[O-].[Zr+4];
InChI
InChI=1S/4C5H5F3O2.Zr/c4*1-3(9)2-4(10)5(6,7)8;/h4*2,10H,1H3;/q;;;;+4/p-4/b4*4-2+;;
InChI Key
WYYHZWGGPPBCMA-NSSKEBHHSA-J;
Complexity
168
Covalently-Bonded Unit Count
5
Defined Bond Stereocenter Count
4
Exact Mass
701.97g/mol
H-Bond Acceptor
20
Heavy Atom Count
41
Monoisotopic Mass
701.97g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
161A^2
