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Acetato(2,9-dimethyl-1,10-phenanthroline)palladium(II) dimer bis(trifluoromethanesulfonate)

Catalog Number ACM959698205
CAS 959698-20-5
Synonyms 2,9-Dimethyl-1,10-phenanthroline;palladium(2+);trifluoromethanesulfonate;diacetate
Molecular Weight 896.5
Molecular Formula C33H30F3N4O7Pd2S
Canonical SMILES CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.CC(=O)[O-].CC(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Pd+2].[Pd+2]
InChI InChI=1S/2C14H12N2.2C2H4O2.CHF3O3S.2Pd/c2*1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;2*1-2(3)4;2-1(3,4)8(5,6)7;/h2*3-8H,1-2H3;2*1H3,(H,3,4);(H,5,6,7);/q;2*+2/p-3
InChI Key UNVWLTXHMLHDGC-UHFFFAOYSA-K
Purity 98%
Complexity 826
Covalently-Bonded Unit Count 7
Defined Atom Stereocenter Count 0
Exact Mass 896.9861
Heavy Atom Count 50
Hydrogen Bond Acceptor Count 14
Hydrogen Bond Donor Count 0
Monoisotopic Mass 894.98569
Rotatable Bond Count 0
Topological Polar Surface Area 197 Ų

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