| CAS Number | 1446016-94-9 |
| Catalog Number | AG00HX6F(AGN-PC-0WQX1L) |
| Chemical Name | 3-Chloro-5-(trifluoromethyl)phenyl triflate |
| IUPAC Name | [3-chloro-5-(trifluoromethyl)phenyl] trifluoromethanesulfonate |
| InChI | InChI=1S/C8H3ClF6O3S/c9-5-1-4(7(10,11)12)2-6(3-5)18-19(16,17)8(13,14)15/h1-3H |
| InChI Key | UFWHNHSIIJQVSA-UHFFFAOYSA-N |
| MDL Number | MFCD25541858 |
| Molecular Formula | C8H3ClF6O3S |
| Molecular Weight | 328.616 |
| SMILES | FC(F)(F)C1=CC(OS(=O)(=O)C(F)(F)F)=CC(Cl)=C1 |
| Synonyms | 3-Chloro-5-(trifluoromethyl)phenyl trifluoromethanesulphonate,
1446016-94-9,
ZX-AP011888,
MFCD25541858,
ZINC97972480,
PC500096,
PS-11039,
3-Chloro-5-(trifluoromethyl)phenyl triflate,
|
| Complexity | 412 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.609g/mol |
| Monoisotopic Mass | 327.94g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number