| CAS Number | 458566-99-9 |
| Catalog Number | AG01EN1H(AGN-PC-0RU56Z) |
| Chemical Name | 4,5-Dimethyl-2-(Trimethylsilyl)Phenyl Trifluoromethanesulfonate |
| IUPAC Name | (4,5-dimethyl-2-trimethylsilylphenyl) trifluoromethanesulfonate |
| InChI | InChI=1S/C12H17F3O3SSi/c1-8-6-10(18-19(16,17)12(13,14)15)11(7-9(8)2)20(3,4)5/h6-7H,1-5H3 |
| InChI Key | LWWMREXCZFYEMG-UHFFFAOYSA-N |
| MDL Number | MFCD28969391 |
| Molecular Formula | C12H17F3O3SSi |
| Molecular Weight | 326.4073 |
| SMILES | Cc1cc(c(cc1C)OS(=O)(=O)C(F)(F)F)[Si](C)(C)C |
| Synonyms | 4,5-dimethyl-2-(trimethylsilyl)phenyl trifluoromethanesulfonate,
458566-99-9,
LWWMREXCZFYEMG-UHFFFAOYSA-N,
ZINC196066679,
4-(Trifluoromethylsulfonyloxy)-5-(trimethylsilyl)-o-xylene,
4,5-dimethyl-2-(trimethylsilyl)phenyl trifluoromethane sulfonate,
CID11174787,
[4,5-dimethyl-2-(trifluoromethylsulfonyloxy)phenyl]-trimethyl-silane,
4,5-Dimethyl-2-(trimethylsilyl)phenyl trifluoromethanesulfonate, 98% - 1G 1g,
|
| Complexity | 436 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.405g/mol |
| Monoisotopic Mass | 326.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.8A^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