| CAS Number | 1211774-49-0 |
| Catalog Number | AG019XJ1 |
| Chemical Name | sodium 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetate |
| IUPAC Name | sodium;2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetate |
| InChI | InChI=1S/C11H8FNO2S.Na/c12-8-3-1-7(2-4-8)9-6-16-10(13-9)5-11(14)15;/h1-4,6H,5H2,(H,14,15);/q;+1/p-1 |
| InChI Key | FSRQBBXZVNJVCW-UHFFFAOYSA-M |
| MDL Number | MFCD13196179 |
| Molecular Formula | C11H7FNNaO2S |
| Molecular Weight | 259.2320 |
| SMILES | [Na+].[O-]C(CC1SC=C(C2=CC=C(F)C=C2)N=1)=O |
| Synonyms | sodium 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetate,
1211774-49-0,
AC1Q1V76,
CTK5I4997,
MCULE-5611923054,
NE15736,
EN300-55154,
Z839575560,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.23g/mol |
| Monoisotopic Mass | 259.008g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number