| CAS Number | 1446016-75-6 |
| Catalog Number | AG001JTY(AGN-PC-0WR0QJ) |
| Chemical Name | 4-Chloro-2-methylphenyl triflate |
| IUPAC Name | (4-chloro-2-methylphenyl) trifluoromethanesulfonate |
| InChI | InChI=1S/C8H6ClF3O3S/c1-5-4-6(9)2-3-7(5)15-16(13,14)8(10,11)12/h2-4H,1H3 |
| InChI Key | GECYAQNQPGLIHX-UHFFFAOYSA-N |
| MDL Number | MFCD25541852 |
| Molecular Formula | C8H6ClF3O3S |
| Molecular Weight | 274.6446 |
| SMILES | CC1=C(OS(=O)(=O)C(F)(F)F)C=CC(Cl)=C1 |
| Synonyms | 1446016-75-6,
4-Chloro-2-methylphenyl trifluoromethanesulfonate,
PS-11183,
4-Chloro-2-methylphenyl trifluoromethanesulphonate 97%,
Methanesulfonic acid, 1,1,1-trifluoro-, 4-chloro-2-methylphenyl ester,
4-Chloro-2-methylphenyl trifluoromethanesulphonate,
4-Chloro-2-methylphenyl triflate,
ZX-AP011887,
MFCD25541852,
ZINC97972479,
AKOS027385372,
FCH3086338,
PC500090,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.638g/mol |
| Monoisotopic Mass | 273.968g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number