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Home > Fluorides > 129112-26-1
129112-26-1 | Methanesulfonic acid, 1,1,1-trifluoro-, 2-iodophenyl ester
CAS No: 129112-26-1 Catalog No: AG000YVP MDL No:MFCD07784326
Product Description
Catalog Number:
AG000YVP
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 2-iodophenyl ester
CAS Number:
129112-26-1
Molecular Formula:
C7H4F3IO3S
Molecular Weight:
352.0695
MDL Number:
MFCD07784326
IUPAC Name:
(2-iodophenyl) trifluoromethanesulfonate
InChI:
InChI=1S/C7H4F3IO3S/c8-7(9,10)15(12,13)14-6-4-2-1-3-5(6)11/h1-4H
InChI Key:
AXIDYNSWXPNBLG-UHFFFAOYSA-N
SMILES:
Ic1ccccc1OS(=O)(=O)C(F)(F)F
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.888g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.066g/mol
Monoisotopic Mass:
351.888g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| On the preparation of ortho-trifluoromethyl phenyl triflate. | Organic & biomolecular chemistry 20040907 |
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