| CAS Number | 106203-24-1 |
| Catalog Number | AG00953G(AGN-PC-00N7QV) |
| Chemical Name | 5-Thiazolecarboxylic acid, 4-(trifluoromethyl)-, ethyl ester |
| IUPAC Name | ethyl 4-(trifluoromethyl)-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C7H6F3NO2S/c1-2-13-6(12)4-5(7(8,9)10)11-3-14-4/h3H,2H2,1H3 |
| InChI Key | MLZQFBNVLJIBLJ-UHFFFAOYSA-N |
| MDL Number | MFCD17170046 |
| Molecular Formula | C7H6F3NO2S |
| Molecular Weight | 225.1882 |
| SMILES | O=C(C1=C(C(F)(F)F)N=CS1)OCC |
| Synonyms | 106203-24-1,
Ethyl 4-(trifluoromethyl)thiazole-5-carboxylate,
ethyl 4-(trifluoromethyl)-1,3-thiazole-5-carboxylate,
SCHEMBL1417518,
MLZQFBNVLJIBLJ-UHFFFAOYSA-N,
MFCD17170046,
ZINC34101580,
AKOS015899562,
AS-43601,
FT-0706084,
I14-11413,
4-Trifluoromethyl-thiazole-5-carboxylic acid ethyl ester,
5-Thiazolecarboxylic acid, 4-(trifluoromethyl)-, ethyl ester,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.185g/mol |
| Monoisotopic Mass | 225.007g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number