| CAS Number | 1209660-82-1 |
| Catalog Number | AG019XA7 |
| Chemical Name | Sodium 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetate |
| IUPAC Name | sodium;2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetate |
| InChI | InChI=1S/C11H8ClNO2S.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 | BQLNGVVDWDHDEB-UHFFFAOYSA-M |
| MDL Number | MFCD13196069 |
| Molecular Formula | C11H7ClNNaO2S |
| Molecular Weight | 275.6866 |
| SMILES | [Na+].[O-]C(CC1SC=C(C2=CC=C(Cl)C=C2)N=1)=O |
| Synonyms | sodium 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetate,
1209660-82-1,
AC1Q1V75,
CTK5I4996,
MCULE-3900881767,
NE34388,
EN300-54473,
Z839028546,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.978g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.682g/mol |
| Monoisotopic Mass | 274.978g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number