| CAS Number | 1443292-13-4 |
| Catalog Number | AG01BBZH |
| Chemical Name | 3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride |
| IUPAC Name | 5-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride |
| InChI | InChI=1S/C4H2ClF3N2O2S/c5-13(11,12)2-1-9-10-3(2)4(6,7)8/h1H,(H,9,10) |
| InChI Key | YONJQBMSXDSBQL-UHFFFAOYSA-N |
| MDL Number | MFCD25368340 |
| Molecular Formula | C4H2ClF3N2O2S |
| Molecular Weight | 234.5841 |
| SMILES | FC(C1C(S(Cl)(=O)=O)=CNN=1)(F)F |
| Synonyms | 3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride,
1443292-13-4,
ZINC97952706,
3-Trifluoromethyl-1H-pyrazole-4-sulfonyl chloride,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.948g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.577g/mol |
| Monoisotopic Mass | 233.948g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number