Zirconium(IV) hexafluoroacetylacetonate

Catalog Number	ACM19530020
CAS	19530-02-0
Structure
Synonyms	Tetrakis-(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-O.O'')-zirconium
IUPAC Name	(Z)-1,1,1,5,5,5-Hexafluoro-4-hydroxypent-3-en-2-one;zirconium
Molecular Weight	923.5
Molecular Formula	C20H8F24O8Zr
Canonical SMILES	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.C(=C(C(F)(F)F)O)C(=O)C(F)(F)F.[Zr]
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
Boiling Point	225 °C
Melting Point	41-43 °C
Flash Point	225 °C
Purity	95%+
Appearance	Off-white crystalline
Complexity	1150
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Exact Mass	921.888292
Heavy Atom Count	53
Hydrogen Bond Acceptor Count	32
Hydrogen Bond Donor Count	4
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]
Monoisotopic Mass	921.888292
Rotatable Bond Count	4
Topological Polar Surface Area	149 Ų