Bis(hexafluoroacetylacetonato)nickel(II) hydrate

Catalog Number	ACM14949690
CAS	14949-69-0
Structure
Synonyms	Hexafluoroacetylacetono nickel(II) salt hydrate
Molecular Weight	472.79
Molecular Formula	C10H2F12NiO4
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.[Ni+2]
InChI	InChI=1S/2C5H2F6O2.Ni/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1,12H;/q;+2/p-2/b2*2-1-;
InChI Key	YBMAWNCLJNNCMV-PAMPIZDHSA-L
Melting Point	211-213 °C
Purity	96%+
Appearance	Light yellow to amber to dark green powder to crystal
Complexity	210
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Exact Mass	471.911488
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	16
Hydrogen Bond Donor Count	0
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.[Ni+2]
Monoisotopic Mass	471.911488
Rotatable Bond Count	2
Topological Polar Surface Area	80.3 Ų