| CAS Number | 1868173-33-4 |
| Catalog Number | AG00IMHN(AGN-PC-0WQUN2) |
| Chemical Name | (5-Fluoro-2-Nitrophenyl)(2,4,6-Trimethoxyphenyl)Iodonium P-Toluenesulfonate |
| IUPAC Name | (5-fluoro-2-nitrophenyl)-(2,4,6-trimethoxyphenyl)iodanium;4-methylbenzenesulfonate |
| InChI | InChI=1S/C15H14FINO5.C7H8O3S/c1-21-10-7-13(22-2)15(14(8-10)23-3)17-11-6-9(16)4-5-12(11)18(19)20;1-6-2-4-7(5-3-6)11(8,9)10/h4-8H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1 |
| InChI Key | CADOMGBBYLEKSI-UHFFFAOYSA-M |
| MDL Number | MFCD30475654 |
| Molecular Formula | C22H21FINO8S |
| Molecular Weight | 605.3719 |
| SMILES | COC1=C([I+]C2=CC(F)=CC=C2[N+]([O-])=O)C(OC)=CC(OC)=C1.CC3=CC=C(S(=O)([O-])=O)C=C3 |
| Synonyms | (5-Fluoro-2-nitrophenyl)(2,4,6-trimethoxyphenyl)iodonium p-toluenesulfonate,
1868173-33-4,
MFCD30475654,
F1110,
(5-Fluoro-2-nitrophenyl)(2,4,6-trimethoxyphenyl)iodonium Tosylate,
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| Complexity | 576 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 605.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 605.372g/mol |
| Monoisotopic Mass | 605.002g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 139A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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