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Home > Fluorides > 1276111-24-0
1276111-24-0 | Iodonium, 2-naphthalenyl(2,4,6-trimethylphenyl)-, 1,1,1-trifluoromethanesulfonate (1:1)
CAS No: 1276111-24-0 Catalog No: AG000X7X MDL No:
Product Description
Catalog Number:
AG000X7X
Chemical Name:
Iodonium, 2-naphthalenyl(2,4,6-trimethylphenyl)-, 1,1,1-trifluoromethanesulfonate (1:1)
CAS Number:
1276111-24-0
Molecular Formula:
C20H18F3IO3S
Molecular Weight:
522.3198
IUPAC Name:
naphthalen-2-yl-(2,4,6-trimethylphenyl)iodanium;trifluoromethanesulfonate
InChI:
InChI=1S/C19H18I.CHF3O3S/c1-13-10-14(2)19(15(3)11-13)20-18-9-8-16-6-4-5-7-17(16)12-18;2-1(3,4)8(5,6)7/h4-12H,1-3H3;(H,5,6,7)/q+1;/p-1
InChI Key:
GZWZRTPECHPCGC-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)C(F)(F)F.Cc1cc(C)c(c(c1)C)[I+]c1ccc2c(c1)cccc2
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
521.997g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
522.321g/mol
Monoisotopic Mass:
521.997g/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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