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115298-63-0 | Iodonium, (4-methoxyphenyl)phenyl-, 1,1,1-trifluoromethanesulfonate (1:1)
CAS No: 115298-63-0 Catalog No: AG000GKB MDL No:
Product Description
Catalog Number:
AG000GKB
Chemical Name:
Iodonium, (4-methoxyphenyl)phenyl-, 1,1,1-trifluoromethanesulfonate (1:1)
CAS Number:
115298-63-0
Molecular Formula:
C14H12F3IO4S
Molecular Weight:
460.2074
IUPAC Name:
(4-methoxyphenyl)-phenyliodanium;trifluoromethanesulfonate
InChI:
InChI=1S/C13H12IO.CHF3O3S/c1-15-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;2-1(3,4)8(5,6)7/h2-10H,1H3;(H,5,6,7)/q+1;/p-1
InChI Key:
YXSLFXLNXREQFW-UHFFFAOYSA-M
SMILES:
FC(S(=O)(=O)[O-])(F)F.COc1ccc(cc1)[I+]c1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.945g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
460.206g/mol
Monoisotopic Mass:
459.945g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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