| CAS Number | 155377-11-0 |
| Catalog Number | AG018S71(AGN-PC-0WBEV8) |
| Chemical Name | 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C7H7F3N2O2/c1-2-12-3-4(6(13)14)5(11-12)7(8,9)10/h3H,2H2,1H3,(H,13,14) |
| InChI Key | UGXKLEYJWXQPHC-UHFFFAOYSA-N |
| MDL Number | MFCD17677442 |
| Molecular Formula | C7H7F3N2O2 |
| Molecular Weight | 208.1379 |
| SMILES | CCN1N=C(C(F)(F)F)C(C(O)=O)=C1 |
| Synonyms | 155377-11-0,
1-ethyl-3-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid,
SCHEMBL1194806,
UGXKLEYJWXQPHC-UHFFFAOYSA-N,
1H-Pyrazole-4-carboxylic acid, 1-ethyl-3-(trifluoromethyl)-,
ZINC74178306,
AKOS026726123,
1-ethyl-3-trifluoromethylpyrazole-4-carboxylic acid,
ethyl 3-trifluoromethyl-1H-pyrazole-4-carboxylic acid,
F8888-2742,
Z1973465486,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.14g/mol |
| Monoisotopic Mass | 208.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number