| CAS Number | 1936381-19-9 |
| Catalog Number | AG01BEEI |
| Chemical Name | 3-bromo-1-methyl-1H-pyrazole-5-sulfonyl chloride |
| IUPAC Name | 5-bromo-2-methylpyrazole-3-sulfonyl chloride |
| InChI | InChI=1S/C4H4BrClN2O2S/c1-8-4(11(6,9)10)2-3(5)7-8/h2H,1H3 |
| InChI Key | YZDCONNCIQCPKL-UHFFFAOYSA-N |
| MDL Number | MFCD30219532 |
| Molecular Formula | C4H4BrClN2O2S |
| Molecular Weight | 259.5088 |
| SMILES | CN1C(S(Cl)(=O)=O)=CC(Br)=N1 |
| Synonyms | 3-bromo-1-methyl-1H-pyrazole-5-sulfonyl chloride,
1936381-19-9,
|
| 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 | 1.6 |
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Certificate of Analysis
Lot Number