Organofluorine / Alfa Chemistry
[1,3-Bis(2,6-di-i-propylphenyl)imidazol-2-ylidene][bis(trifluoromethanesulfonyl)imide]gold(I)

[1,3-Bis(2,6-di-i-propylphenyl)imidazol-2-ylidene][bis(trifluoromethanesulfonyl)imide]gold(I)

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[1,3-Bis(2,6-di-i-propylphenyl)imidazol-2-ylidene][bis(trifluoromethanesulfonyl)imide]gold(I)
Catalog OFC951776242
CAS 951776-24-2
Category Fluorinated Metal Complexes
Purity >95.00%
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Other Identifiers Chemical Data Computational Chemistry
IUPAC Name 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;bis(trifluoromethylsulfonyl)azanide;gold
InChI InChI=1S/C27H37N2.C2F6NO4S2.Au/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;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h9-21H,1-8H3;;/q2*-1;
InChI Key SRNIVRFMRMHJTC-UHFFFAOYSA-N
Isomeric SMILES CC(C)C1=C(C(=CC=C1)C(C)C)N2[CH-]N(C=C2)C3=C(C=CC=C3C(C)C)C(C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Au]
EC Number 694-801-8
Molecular Formula C29H36AuF6N3O4S2
Molecular Weight 865.7
Appearance White to pale yellow solid
Stability Air sensitive
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 8
Exact Mass 866.179538 g/mol
Monoisotopic Mass 866.179538 g/mol
Topological Polar Surface Area 92.5Ų
Heavy Atom Count 45
Formal Charge -2
Complexity 1050

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