| CAS Number | 2137984-60-0 |
| Catalog Number | AG01EINH |
| Chemical Name | sodium 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfinate |
| IUPAC Name | sodium;5-chloro-1,3-dimethylpyrazole-4-sulfinate |
| InChI | InChI=1S/C5H7ClN2O2S.Na/c1-3-4(11(9)10)5(6)8(2)7-3;/h1-2H3,(H,9,10);/q;+1/p-1 |
| InChI Key | KZSQSGXMKVRPIS-UHFFFAOYSA-M |
| MDL Number | MFCD31440971 |
| Molecular Formula | C5H6ClN2NaO2S |
| Molecular Weight | 216.6211 |
| SMILES | [Na+].CC1C(S([O-])=O)=C(Cl)N(C)N=1 |
| Synonyms | sodium 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfinate,
2137984-60-0,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.615g/mol |
| Monoisotopic Mass | 215.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 77.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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