| CAS Number | 848658-80-0 |
| Catalog Number | AG019OIH |
| Chemical Name | ethyl 4-chloro-3-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)but-2-enoate |
| IUPAC Name | ethyl 4-chloro-3-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)but-2-enoate |
| InChI | InChI=1S/C10H12ClNO3S/c1-3-15-10(14)8(7(13)4-11)9-12-6(2)5-16-9/h5,13H,3-4H2,1-2H3 |
| InChI Key | XSFZDJBMSSNHAN-UHFFFAOYSA-N |
| MDL Number | MFCD07329999 |
| Molecular Formula | C10H12ClNO3S |
| Molecular Weight | 261.7252 |
| SMILES | CCOC(C(C1SC=C(C)N=1)=C(CCl)O)=O |
| Synonyms | ethyl 4-chloro-3-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)but-2-enoate,
848658-80-0,
CTK6F2701,
AKOS030753270,
MCULE-9813484766,
ethyl (2E)-4-chloro-3-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)but-2-enoate,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.72g/mol |
| Monoisotopic Mass | 261.023g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number