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84563-54-2 | Bis(4-(tert-butyl);phenyl);iodonium trifluoromethanesulfonate
CAS No: 84563-54-2 Catalog No: AG003O9X MDL No:MFCD02683471
Product Description
Catalog Number:
AG003O9X
Chemical Name:
Bis(4-(tert-butyl);phenyl);iodonium trifluoromethanesulfonate
CAS Number:
84563-54-2
Molecular Formula:
C21H26F3IO3S
Molecular Weight:
542.3940
MDL Number:
MFCD02683471
IUPAC Name:
bis(4-tert-butylphenyl)iodanium;trifluoromethanesulfonate
InChI:
InChI=1S/C20H26I.CHF3O3S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;2-1(3,4)8(5,6)7/h7-14H,1-6H3;(H,5,6,7)/q+1;/p-1
InChI Key:
VGZKCAUAQHHGDK-UHFFFAOYSA-M
SMILES:
FC(S(=O)(=O)[O-])(F)F.CC(c1ccc(cc1)[I+]c1ccc(cc1)C(C)(C)C)(C)C
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
542.06g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
542.396g/mol
Monoisotopic Mass:
542.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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