Tris(dibenzylideneacetone)dipalladium-chloroform adduct

Catalog Number	ACM52522404-1
CAS	52522-40-4
Structure
Synonyms	Dipalladiumtris(dibenzylideneacetone) chloroform adduct
Molecular Weight	1035.1
Molecular Formula	C52H43Cl3O3Pd2
Canonical SMILES	C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C(Cl)(Cl)Cl.[Pd].[Pd]
InChI	InChI=1S/3C17H14O.CHCl3.2Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;2-1(3)4;/h3*1-14H;1H;/b3*13-11+,14-12+;
InChI Key	LNAMMBFJMYMQTO-FNEBRGMMSA-N
Melting Point	131-135 °C
Purity	98%
Appearance	Purple black crystal powder
Complexity	280
Covalently-Bonded Unit Count	6
Defined Atom Stereocenter Count	0
Exact Mass	1034.03515
Heavy Atom Count	60
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isomeric SMILES	C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C(Cl)(Cl)Cl.[Pd].[Pd]
Monoisotopic Mass	1032.03474
Rotatable Bond Count	12
Topological Polar Surface Area	51.2 Ų