| CAS Number | 2060029-60-7 |
| Catalog Number | AG01C07J |
| Chemical Name | 2-chloro-4-(difluoromethyl)-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 2-chloro-4-(difluoromethyl)-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C5H2ClF2NO2S/c6-5-9-1(3(7)8)2(12-5)4(10)11/h3H,(H,10,11) |
| InChI Key | QOCLNNAUYJQRTJ-UHFFFAOYSA-N |
| MDL Number | MFCD30497862 |
| Molecular Formula | C5H2ClF2NO2S |
| Molecular Weight | 213.5897 |
| SMILES | OC(C1=C(C(F)F)N=C(Cl)S1)=O |
| Synonyms | 2-chloro-4-(difluoromethyl)-1,3-thiazole-5-carboxylic acid,
2060029-60-7,
ZINC536952247,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.583g/mol |
| Monoisotopic Mass | 212.946g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number