| CAS Number | 1697720-32-3 |
| Catalog Number | AG01B3S1 |
| Chemical Name | 1-Methyl-4-nitro-1H-pyrazole-3-sulfonyl chloride |
| IUPAC Name | 1-methyl-4-nitropyrazole-3-sulfonyl chloride |
| InChI | InChI=1S/C4H4ClN3O4S/c1-7-2-3(8(9)10)4(6-7)13(5,11)12/h2H,1H3 |
| InChI Key | PDISLMIKBXKVIQ-UHFFFAOYSA-N |
| MDL Number | MFCD30164446 |
| Molecular Formula | C4H4ClN3O4S |
| Molecular Weight | 225.6103 |
| SMILES | CN1N=C(S(Cl)(=O)=O)C([N+]([O-])=O)=C1 |
| Synonyms | 1-methyl-4-nitro-1H-pyrazole-3-sulfonyl chloride,
1697720-32-3,
SCHEMBL18209669,
ZINC231673235,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.603g/mol |
| Monoisotopic Mass | 224.961g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number