| CAS Number | 2001746-01-4 |
| Catalog Number | AG01BWH6 |
| Chemical Name | 1-methyl-4-(trifluoromethyl)-1H-pyrazole-5-sulfonyl chloride |
| IUPAC Name | 2-methyl-4-(trifluoromethyl)pyrazole-3-sulfonyl chloride |
| InChI | InChI=1S/C5H4ClF3N2O2S/c1-11-4(14(6,12)13)3(2-10-11)5(7,8)9/h2H,1H3 |
| InChI Key | VSZUHNYUBNHCBY-UHFFFAOYSA-N |
| MDL Number | MFCD30477119 |
| Molecular Formula | C5H4ClF3N2O2S |
| Molecular Weight | 248.6107 |
| SMILES | CN1C(S(Cl)(=O)=O)=C(C(F)(F)F)C=N1 |
| Synonyms | 1-Methyl-4-(trifluoromethyl)-1H-pyrazole-5-sulfonyl chloride,
2001746-01-4,
ZINC521401040,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.604g/mol |
| Monoisotopic Mass | 247.963g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number