| CAS Number | 1378866-77-3 |
| Catalog Number | AG01BS8J(AGN-PC-0WBK2K) |
| Chemical Name | 3-bromo-1-methyl-1H-pyrazole-4-sulfonyl chloride |
| IUPAC Name | 3-bromo-1-methylpyrazole-4-sulfonyl chloride |
| InChI | InChI=1S/C4H4BrClN2O2S/c1-8-2-3(4(5)7-8)11(6,9)10/h2H,1H3 |
| InChI Key | LRAIKAPRQUBEQH-UHFFFAOYSA-N |
| MDL Number | MFCD13689115 |
| Molecular Formula | C4H4BrClN2O2S |
| Molecular Weight | 259.5088 |
| SMILES | CN1N=C(Br)C(S(Cl)(=O)=O)=C1 |
| Synonyms | 1378866-77-3,
3-bromo-1-methyl-1H-pyrazole-4-sulfonyl chloride,
AKOS023790080,
ZINC212617104,
|
| 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