| CAS Number | 2098851-48-8 |
| Catalog Number | AG01FN9F(AGN-PC-3H5NFG) |
| Chemical Name | Sodium 5-(trifluoromethyl)pyridine-2-sulfinate |
| IUPAC Name | sodium;5-(trifluoromethyl)pyridine-2-sulfinate |
| InChI | InChI=1S/C6H4F3NO2S.Na/c7-6(8,9)4-1-2-5(10-3-4)13(11)12;/h1-3H,(H,11,12);/q;+1/p-1 |
| InChI Key | SAGBUXWBZZIXTN-UHFFFAOYSA-M |
| MDL Number | MFCD31442692 |
| Molecular Formula | C6H3F3NNaO2S |
| Molecular Weight | 233.1435 |
| SMILES | O=S(C1=NC=C(C(F)(F)F)C=C1)[O-].[Na+] |
| Synonyms | SODIUM 5-(TRIFLUOROMETHYL)PYRIDINE-2-SULFINATE,
Sodium 5-(trifluoromethyl)pyridine-2-sulfinate, >=95%,
2098851-48-8,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.973428g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.15g/mol |
| Monoisotopic Mass | 232.973428g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 72.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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