Tetrakis(acetonitrile)copper(I) trifluoromethanesulfonate

Catalog Number	ACM58452281
CAS	58452-28-1
Synonyms	Tetrakis(acetonitrile)copper(I) triflate
Molecular Weight	376.82
Molecular Formula	C9H12CuF3N4O3S
Canonical SMILES	CC#N.CC#N.CC#N.CC#N.C(F)(F)(F)S(=O)(=O)[O-].[Cu+]
InChI	InChI=1S/4C2H3N.CHF3O3S.Cu/c4*1-2-3;2-1(3,4)8(5,6)7;/h4*1H3;(H,5,6,7);/q;+1/p-1
InChI Key	NOBZSXGFNYRDMS-UHFFFAOYSA-M
Melting Point	124 °C
Purity	98%+
Appearance	White to light yellow to green powder to crystal
Complexity	323
Covalently-Bonded Unit Count	6
Defined Atom Stereocenter Count	0
Exact Mass	375.987818
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	0
Monoisotopic Mass	375.987818
Rotatable Bond Count	0
Topological Polar Surface Area	161 Ų