1,3-Bis(2,6-di-i-propylphenyl)imidazol-2-ylidene(acetonitrile)gold(I) tetrafluoroborate

Catalog Number	ACM896733612-1
CAS	896733-61-2
Synonyms	1,3-Di(propan-2-yl)benzene-2-ide;(2E)-2-[3-[2,6-di(propan-2-yl)phenyl]-1H-imidazol-2-ylidene]acetonitrile;gold(1+);tetrafluoroborate
Molecular Weight	712.4
Molecular Formula	C29H38AuBF4N3
Canonical SMILES	[B-](F)(F)(F)F.CC(C)C1=[C-]C(=CC=C1)C(C)C.CC(C)C1=C(C(=CC=C1)C(C)C)N2C=CNC2=CC#N.[Au+]
InChI	InChI=1S/C17H21N3.C12H17.Au.BF4/c1-12(2)14-6-5-7-15(13(3)4)17(14)20-11-10-19-16(20)8-9-18;1-9(2)11-6-5-7-12(8-11)10(3)4;;2-1(3,4)5/h5-8,10-13,19H,1-4H3;5-7,9-10H,1-4H3;/q;-1;+1;-1/b16-8+;
InChI Key	SUYOETKSMAJMIH-QPJJLOBJSA-N
Purity	95%
Appearance	Solid
Exact Mass	712.276061
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Isomeric SMILES	[B-](F)(F)(F)F.CC(C)C1=[C-]C(=CC=C1)C(C)C.CC(C)C1=C(C(=CC=C1)C(C)C)N\2C=CN/C2=C\C#N.[Au+]
Monoisotopic Mass	712.276061
Rotatable Bond Count	5
Topological Polar Surface Area	39.1 Ų