| CAS Number | 317319-19-0 |
| Catalog Number | AG01A519 |
| Chemical Name | Ethyl 2-(3,4-difluorophenyl)-4-methylthiazole-5-carboxylate |
| IUPAC Name | ethyl 2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C13H11F2NO2S/c1-3-18-13(17)11-7(2)16-12(19-11)8-4-5-9(14)10(15)6-8/h4-6H,3H2,1-2H3 |
| InChI Key | XUQTVAQXMSEFBW-UHFFFAOYSA-N |
| MDL Number | MFCD22581240 |
| Molecular Formula | C13H11F2NO2S |
| Molecular Weight | 283.2937 |
| SMILES | CCOC(C1=C(C)N=C(C2=CC(F)=C(F)C=C2)S1)=O |
| Synonyms | ethyl 2-(3,4-difluorophenyl)-4-methylthiazole-5-carboxylate,
317319-19-0,
ethyl 2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate,
MFCD22581240,
ZINC95218362,
NE59909,
QC-6229,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.293g/mol |
| Monoisotopic Mass | 283.048g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number