| CAS Number | 900530-68-9 |
| Catalog Number | AG00GSH7(AGN-PC-05F9WD) |
| Chemical Name | 5-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 5-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C5H2F3NO2S/c6-5(7,8)3-2(4(10)11)9-1-12-3/h1H,(H,10,11) |
| InChI Key | MESLCUOAZZCUOE-UHFFFAOYSA-N |
| MDL Number | MFCD09991771 |
| Molecular Formula | C5H2F3NO2S |
| Molecular Weight | 197.1351 |
| SMILES | FC(C1=C(N=CS1)C(=O)O)(F)F |
| Synonyms | 5-(Trifluoromethyl)-1,3-thiazole-4-carboxylic acid,
900530-68-9,
5-(Trifluoromethyl)thiazole-4-carboxylic acid,
SCHEMBL5117622,
CTK7J1011,
MESLCUOAZZCUOE-UHFFFAOYSA-N,
2650AF,
MFCD09991771,
SBB053130,
ZINC20357795,
AKOS006314764,
MCULE-6559464165,
NE49271,
TS-02790,
CS-0038768,
4-Thiazolecarboxylic acid, 5-(trifluoromethyl)-,
Z1839480807,
C5H2F3NO2S,
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| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.131g/mol |
| Monoisotopic Mass | 196.976g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number