| CAS Number | 169382-91-6 |
| Catalog Number | AG01B7XZ |
| Chemical Name | 1-(trifluoromethyl)-1H-pyrazole |
| IUPAC Name | 1-(trifluoromethyl)pyrazole |
| InChI | InChI=1S/C4H3F3N2/c5-4(6,7)9-3-1-2-8-9/h1-3H |
| InChI Key | JDCLOWORQIDWQP-UHFFFAOYSA-N |
| MDL Number | MFCD28013126 |
| Molecular Formula | C4H3F3N2 |
| Molecular Weight | 136.0752 |
| SMILES | FC(N1N=CC=C1)(F)F |
| Synonyms | 1-(trifluoromethyl)-1H-pyrazole,
169382-91-6,
1-trifluoromethylpyrazole,
trifluoromethyl 1h pyrazole,
SCHEMBL154791,
ZINC82220757,
1-Trifluoromethyl-1H-pyrazole,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 136.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 136.077g/mol |
| Monoisotopic Mass | 136.025g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number