(Z)-1,1,1-Trifluoro-4-oxopent-2-en-2-olate;zirconium(4+)

Catalog Number	ACM17499682-2
CAS	17499-68-2
Structure
Synonyms	1,1,1-Trifluoro-4-oxo-pent-2-en-2-olate; zirconium(4+)
Molecular Weight	703.5
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-UVSRJUEXSA-J
Melting Point	190 °C
Purity	98%+
Appearance	Powder
Exact Mass	701.970054
Hydrogen Bond Acceptor Count	20
Hydrogen Bond Donor Count	0
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]
Monoisotopic Mass	701.970054
Rotatable Bond Count	4
Topological Polar Surface Area	161 Ų