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Home > Fluorides > 210823-54-4
210823-54-4 | Iodonium, (2-methylphenyl)(2,4,6-trimethylphenyl)-, 1,1,1-trifluoromethanesulfonate (1:1)
CAS No: 210823-54-4 Catalog No: AG002KZ9 MDL No:MFCD20264884
Product Description
Catalog Number:
AG002KZ9
Chemical Name:
Iodonium, (2-methylphenyl)(2,4,6-trimethylphenyl)-, 1,1,1-trifluoromethanesulfonate (1:1)
CAS Number:
210823-54-4
Molecular Formula:
C17H18F3IO3S
Molecular Weight:
486.2877
MDL Number:
MFCD20264884
IUPAC Name:
(2-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;trifluoromethanesulfonate
InChI:
InChI=1S/C16H18I.CHF3O3S/c1-11-9-13(3)16(14(4)10-11)17-15-8-6-5-7-12(15)2;2-1(3,4)8(5,6)7/h5-10H,1-4H3;(H,5,6,7)/q+1;/p-1
InChI Key:
QFMYCPNBAGXLDL-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)C(F)(F)F.Cc1cc(C)c(c(c1)C)[I+]c1ccccc1C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.997g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
486.288g/mol
Monoisotopic Mass:
485.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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