| CAS Number | 37903-93-8 |
| Catalog Number | AG01BD2C(AGN-PC-0O9J2P) |
| Chemical Name | 4-(Trifluoromethyl)phenyl methanesulfonate |
| IUPAC Name | [4-(trifluoromethyl)phenyl] methanesulfonate |
| InChI | InChI=1S/C8H7F3O3S/c1-15(12,13)14-7-4-2-6(3-5-7)8(9,10)11/h2-5H,1H3 |
| InChI Key | USSPAXCYRHZSFF-UHFFFAOYSA-N |
| MDL Number | MFCD16036345 |
| Molecular Formula | C8H7F3O3S |
| Molecular Weight | 240.1996 |
| SMILES | CS(OC1=CC=C(C(F)(F)F)C=C1)(=O)=O |
| Synonyms | 4-(trifluoromethyl)phenyl methanesulfonate,
37903-93-8,
SCHEMBL6937934,
CHEMBL4100321,
ZINC34614658,
NE54176,
SC-61600,
Phenol,4-(trifluoromethyl)-,1-methanesulfonate,
Methanesulfonic acid 4-(trifluoromethyl)phenyl ester,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.196g/mol |
| Monoisotopic Mass | 240.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number