| CAS Number | 473994-55-7 |
| Catalog Number | AG01CA41 |
| Chemical Name | 5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid |
| IUPAC Name | 5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid |
| InChI | InChI=1S/C7H3F3N4O2/c8-7(9,10)3-1-2-14-6(11-3)12-4(13-14)5(15)16/h1-2H,(H,15,16) |
| InChI Key | ZQJGAVRZURRMJE-UHFFFAOYSA-N |
| MDL Number | MFCD16987569 |
| Molecular Formula | C7H3F3N4O2 |
| Molecular Weight | 232.1195 |
| SMILES | OC(C1=NN2C(N=C(C(F)(F)F)C=C2)=N1)=O |
| Synonyms | 5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid,
473994-55-7,
5-(Trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.122g/mol |
| Monoisotopic Mass | 232.021g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number