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Home > Fluorides > 115991-46-3
115991-46-3 | Iodonium, bis(4-fluorophenyl)-, sulfate (1:1)
CAS No: 115991-46-3 Catalog No: AG000HEA MDL No:
Product Description
Catalog Number:
AG000HEA
Chemical Name:
Iodonium, bis(4-fluorophenyl)-, sulfate (1:1)
CAS Number:
115991-46-3
Molecular Formula:
C12H9F2IO4S
Molecular Weight:
414.1637
IUPAC Name:
bis(4-fluorophenyl)iodanium;hydrogen sulfate
InChI:
InChI=1S/C12H8F2I.H2O4S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;1-5(2,3)4/h1-8H;(H2,1,2,3,4)/q+1;/p-1
InChI Key:
GBDUOAFERZGFHU-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)O.Fc1ccc(cc1)[I+]c1ccc(cc1)F
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.923g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
414.161g/mol
Monoisotopic Mass:
413.923g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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