| CAS Number | 1868173-25-4 |
| Catalog Number | AG00IMGA(AGN-PC-0WQUM7) |
| Chemical Name | (3,5-Dichlorophenyl)(2,4,6-Trimethoxyphenyl)Iodonium P-Toluenesulfonate |
| IUPAC Name | (3,5-dichlorophenyl)-(2,4,6-trimethoxyphenyl)iodanium;4-methylbenzenesulfonate |
| InChI | InChI=1S/C15H14Cl2IO3.C7H8O3S/c1-19-12-7-13(20-2)15(14(8-12)21-3)18-11-5-9(16)4-10(17)6-11;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 | AYHVNGRMSLNAJQ-UHFFFAOYSA-M |
| MDL Number | MFCD30475653 |
| Molecular Formula | C22H21Cl2IO6S |
| Molecular Weight | 611.2740 |
| SMILES | COC1=C([I+]C2=CC(Cl)=CC(Cl)=C2)C(OC)=CC(OC)=C1.CC3=CC=C(S(=O)([O-])=O)C=C3 |
| Synonyms | (3,5-Dichlorophenyl)(2,4,6-trimethoxyphenyl)iodonium p-toluenesulfonate,
1868173-25-4,
MFCD30475653,
D5145,
(3,5-Dichlorophenyl)(2,4,6-trimethoxyphenyl)iodonium Tosylate,
|
| Complexity | 490 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 609.948g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 611.268g/mol |
| Monoisotopic Mass | 609.948g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 93.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number