Chloro[[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](acetanilide)palladium(II)]

Catalog Number	ACM1228009695-1
CAS	1228009-69-5
Structure
Synonyms	[1,3-Bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium;N-phenylacetamide;chloride
IUPAC Name	[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium;N-phenylacetamide;chloride
Molecular Weight	664.6
Molecular Formula	C35H44ClN3OPd
Canonical SMILES	CC(C)C1=C(C(=CC=C1)C(C)C)N2C=CN(C2=[Pd])C3=C(C=CC=C3C(C)C)C(C)C.CC(=O)NC1=CC=CC=[C-]1.[Cl-]
InChI	InChI=1S/C27H36N2.C8H8NO.ClH.Pd/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-7(10)9-8-5-3-2-4-6-8;/h9-16,18-21H,1-8H3;2-5H,1H3,(H,9,10);1H;/q;-1;/p-1
InChI Key	HUZJVJUMFACGKJ-UHFFFAOYSA-M
Purity	98%
Complexity	749
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Exact Mass	663.22077
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Monoisotopic Mass	663.22077
Rotatable Bond Count	7
Topological Polar Surface Area	35.6 Ų