| CAS Number | 1803584-28-2 |
| Catalog Number | AG01AL5V |
| Chemical Name | sodium 2-(2-fluoropyridin-4-yl)acetate |
| IUPAC Name | sodium;2-(2-fluoropyridin-4-yl)acetate |
| InChI | InChI=1S/C7H6FNO2.Na/c8-6-3-5(1-2-9-6)4-7(10)11;/h1-3H,4H2,(H,10,11);/q;+1/p-1 |
| InChI Key | YONNSVAZMKVQSQ-UHFFFAOYSA-M |
| MDL Number | MFCD28954253 |
| Molecular Formula | C7H5FNNaO2 |
| Molecular Weight | 177.1083 |
| SMILES | [Na+].[O-]C(CC1=CC(F)=NC=C1)=O |
| Synonyms | sodium 2-(2-fluoropyridin-4-yl)acetate,
1803584-28-2,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.11g/mol |
| Monoisotopic Mass | 177.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number