| CAS Number | 762287-51-4 |
| Catalog Number | AG019TGY(AGN-PC-0WAL1U) |
| Chemical Name | 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-6(2-4-7)9-15-5-8(18-9)10(16)17/h1-5H,(H,16,17) |
| InChI Key | DSHZQLTWBMTKEW-UHFFFAOYSA-N |
| MDL Number | MFCD07375329 |
| Molecular Formula | C11H6F3NO2S |
| Molecular Weight | 273.2310 |
| SMILES | OC(C1SC(C2=CC=C(C(F)(F)F)C=C2)=NC=1)=O |
| Synonyms | 762287-51-4,
2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOLE-5-CARBOXYLIC ACID,
2-(4-TRIFLUOROMETHYL-PHENYL)-THIAZOLE-5-CARBOXYLIC ACID,
2-[4-(Trifluoromethyl)phenyl]thiazole-5-carboxylic acid,
SCHEMBL1986146,
CTK7J0509,
DSHZQLTWBMTKEW-UHFFFAOYSA-N,
MFCD07375329,
ZINC37343328,
AKOS009332328,
AB41706,
MCULE-4009488152,
NE57600,
2-(4-Trifluoromethylphenyl)thiazole-5-carboxylic acid,
Z1318356909,
5-thiazolecarboxylic acid, 2-[4-(trifluoromethyl)phenyl],
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.229g/mol |
| Monoisotopic Mass | 273.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number