| CAS Number | 1453864-75-9 |
| Catalog Number | AG00IMDL(AGN-PC-0WQUKC) |
| Chemical Name | [4-(Bromomethyl)phenyl](2,4,6-trimethoxyphenyl)iodonium p-Toluenesulfonate |
| IUPAC Name | [4-(bromomethyl)phenyl]-(2,4,6-trimethoxyphenyl)iodanium;4-methylbenzenesulfonate |
| InChI | InChI=1S/C16H17BrIO3.C7H8O3S/c1-19-13-8-14(20-2)16(15(9-13)21-3)18-12-6-4-11(10-17)5-7-12;1-6-2-4-7(5-3-6)11(8,9)10/h4-9H,10H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1 |
| InChI Key | GXDJDWWDUXFVDQ-UHFFFAOYSA-M |
| MDL Number | MFCD30475650 |
| Molecular Formula | C23H24BrIO6S |
| Molecular Weight | 635.3065 |
| SMILES | CC1=CC=C(C=C1)S([O-])(=O)=O.COC1=CC(OC)=C([I+]C2=CC=C(CBr)C=C2)C(OC)=C1 |
| Synonyms | [4-(Bromomethyl)phenyl](2,4,6-trimethoxyphenyl)iodonium p-toluenesulfonate,
1453864-75-9,
MFCD30475650,
B5269,
[4-(Bromomethyl)phenyl](2,4,6-trimethoxyphenyl)iodonium Tosylate,
|
| Complexity | 476 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 633.952g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 635.307g/mol |
| Monoisotopic Mass | 633.952g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 93.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number