Zirconiumtrifluoroacetylacetonate

• Catalog: OFC17499682
• CAS: 17499-68-2
• Category: Fluorinated Metal Complexes
• Synonyms: 1,1,1-Trifluoro-4-Oxo-Pent-2-En-2-Olate; Zirconium(4+)
• Purity: >98%
• MDL Number: MFCD00015317

• IUPAC Name: (Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate;zirconium(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-UVSRJUEXSA-J
• Isomeric SMILES: CC(=O)/C=C(\[O-])/C(F)(F)F.CC(=O)/C=C(\[O-])/C(F)(F)F.CC(=O)/C=C(\[O-])/C(F)(F)F.CC(=O)/C=C(\[O-])/C(F)(F)F.[Zr+4]

• Molecular Formula: C20H16F12O8Zr
• Molecular Weight: 703.5
• Storage: Inert atmosphere, 2-8 °C

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 4
• Exact Mass: 701.970054 g/mol
• Monoisotopic Mass: 701.970054 g/mol
• Topological Polar Surface Area: 161Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 168