Zirconium(IV) hexafluoroacetylacetonate

• Catalog: OFC19530020
• CAS: 19530-02-0
• Category: Fluorinated Metal Complexes
• Synonyms: Tetrakis-(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-O.O'')-zirconium
• Purity: 0.98

• IUPAC Name: (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;zirconium
• InChI: InChI=1S/4C5H2F6O2.Zr/c4*6-4(7,8)2(12)1-3(13)5(9,10)11;/h4*1,12H;/b4*2-1-
• InChI Key: CCWHHGRRFFBJHC-ZVXPXTILSA-N
• Isomeric SMILES: 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.C(=C(\O)/C(F)(F)F)\C(=O)C(F)(F)F.[Zr]

• Molecular Formula: C20H8F24O8Zr
• Molecular Weight: 923.5
• Melting Point: 41-43 °C
• Boiling Point: 225 °C

• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 32
• Rotatable Bond Count: 4
• Exact Mass: 921.888292 g/mol
• Monoisotopic Mass: 921.888292 g/mol
• Topological Polar Surface Area: 149Ų
• Heavy Atom Count: 53
• Formal Charge: 0
• Complexity: 1150