| CAS Number | 1909324-77-1 |
| Catalog Number | AG01E8BS |
| Chemical Name | 3-chloro-1H-pyrazole-4-sulfonyl chloride |
| IUPAC Name | 5-chloro-1H-pyrazole-4-sulfonyl chloride |
| InChI | InChI=1S/C3H2Cl2N2O2S/c4-3-2(1-6-7-3)10(5,8)9/h1H,(H,6,7) |
| InChI Key | ARQQLKOTZWOCAN-UHFFFAOYSA-N |
| MDL Number | MFCD29047216 |
| Molecular Formula | C3H2Cl2N2O2S |
| Molecular Weight | 201.0312 |
| SMILES | ClC1C(S(Cl)(=O)=O)=CNN=1 |
| Synonyms | ZINC219919589,
3-chloro-1H-pyrazole-4-sulfonyl chloride,
1909324-77-1,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.921g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.021g/mol |
| Monoisotopic Mass | 199.921g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number