| CAS Number | 1499532-43-2 |
| Catalog Number | AG01AMS5 |
| Chemical Name | sodium 2,5-difluoro-4-methylbenzene-1-sulfinate |
| IUPAC Name | sodium;2,5-difluoro-4-methylbenzenesulfinate |
| InChI | InChI=1S/C7H6F2O2S.Na/c1-4-2-6(9)7(12(10)11)3-5(4)8;/h2-3H,1H3,(H,10,11);/q;+1/p-1 |
| InChI Key | LZQFDJZQUBOMSS-UHFFFAOYSA-M |
| MDL Number | MFCD24113403 |
| Molecular Formula | C7H5F2NaO2S |
| Molecular Weight | 214.165 |
| SMILES | [Na+].CC1=C(F)C=C(S([O-])=O)C(F)=C1 |
| Synonyms | sodium 2,5-difluoro-4-methylbenzene-1-sulfinate,
1499532-43-2,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.162g/mol |
| Monoisotopic Mass | 213.988g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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