| CAS Number | 863669-64-1 |
| Catalog Number | AG00GUSY |
| Chemical Name | Ethyl α-(2-chloro-1-hydroxypropylidene)-4-methyl-2-thiazoleacetate |
| IUPAC Name | ethyl 4-chloro-3-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)pent-2-enoate |
| InChI | InChI=1S/C11H14ClNO3S/c1-4-16-11(15)8(9(14)7(3)12)10-13-6(2)5-17-10/h5,7,14H,4H2,1-3H3 |
| InChI Key | ZLIUAHMLCOHCFJ-UHFFFAOYSA-N |
| MDL Number | MFCD07339186 |
| Molecular Formula | C11H14ClNO3S |
| Molecular Weight | 275.7518 |
| SMILES | O=C(/C(C1=NC(C)=CS1)=C(C(C)Cl)O)OCC |
| Synonyms | 863669-64-1,
CTK6F2704,
AKOS030664815,
MCULE-4721303192,
ethyl 4-chloro-3-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)pent-2-enoate,
ethyl (2Z)-4-chloro-3-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)pent-2-enoate,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.747g/mol |
| Monoisotopic Mass | 275.038g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number