| CAS Number | 1781461-27-5 |
| Catalog Number | AG01C3GK |
| Chemical Name | 5-bromo-1-methyl-1H-pyrazole-4-sulfonyl chloride |
| IUPAC Name | 5-bromo-1-methylpyrazole-4-sulfonyl chloride |
| InChI | InChI=1S/C4H4BrClN2O2S/c1-8-4(5)3(2-7-8)11(6,9)10/h2H,1H3 |
| InChI Key | WKSFIUAPEQSZEU-UHFFFAOYSA-N |
| MDL Number | MFCD28638422 |
| Molecular Formula | C4H4BrClN2O2S |
| Molecular Weight | 259.5088 |
| SMILES | CN1C(Br)=C(S(Cl)(=O)=O)C=N1 |
| Synonyms | 5-bromo-1-methyl-1H-pyrazole-4-sulfonyl chloride,
1781461-27-5,
AKOS023790084,
ZINC196857465,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.887g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.502g/mol |
| Monoisotopic Mass | 257.887g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number