| CAS Number | 52201-00-0 |
| Catalog Number | AG00DLLN |
| Chemical Name | 2-(trifluoromethyl)benzene-1-sulfonyl fluoride |
| IUPAC Name | 2-(trifluoromethyl)benzenesulfonyl fluoride |
| InChI | InChI=1S/C7H4F4O2S/c8-7(9,10)5-3-1-2-4-6(5)14(11,12)13/h1-4H |
| InChI Key | ZGHIWBACRZVGLY-UHFFFAOYSA-N |
| MDL Number | MFCD22192510 |
| Molecular Formula | C7H4F4O2S |
| Molecular Weight | 228.1641 |
| SMILES | FC(C1=C(S(F)(=O)=O)C=CC=C1)(F)F |
| Synonyms | 52201-00-0,
2-(TRIFLUOROMETHYL)BENZENESULFONYL FLUORIDE,
2-(trifluoromethyl)benzene-1-sulfonyl fluoride,
AKOS034834138,
ZINC103621353,
VS-0009,
2-(Trifluoromethyl)benzenesulfonyl fluoride, 97%,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.161g/mol |
| Monoisotopic Mass | 227.987g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number