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(2-Di-tert-butylphosphinobiphenyl)gold(I) bis(trifluoromethanesulfonyl)imide

Catalog Number ACM1036000948-1
CAS 1036000-94-8
Synonyms Bis(trifluoromethylsulfonyl)azanide;ditert-butyl-(2-phenylphenyl)phosphanium;gold(1+)
Molecular Weight 776.5
Molecular Formula C22H28AuF6NO4PS2
Canonical SMILES CC(C)(C)[PH+](C1=CC=CC=C1C2=CC=CC=C2)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Au+]
InChI InChI=1S/C20H27P.C2F6NO4S2.Au/c1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-16;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h7-15H,1-6H3;/q;-1;+1/p+1
InChI Key IXAZMTRZKJUWDK-UHFFFAOYSA-O
Purity 98%
Complexity 856
Covalently-Bonded Unit Count 3
Defined Atom Stereocenter Count 0
Exact Mass 776.076727
Heavy Atom Count 37
Hydrogen Bond Acceptor Count 11
Hydrogen Bond Donor Count 0
Monoisotopic Mass 776.076727
Rotatable Bond Count 6
Topological Polar Surface Area 86 Ų

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