| CAS Number | 176214-16-7 |
| Catalog Number | AG00HZOV(AGN-PC-0NCUKQ) |
| Chemical Name | 1-Methyl-4-(trifluoromethyl)-1H-pyrazole |
| IUPAC Name | 1-methyl-4-(trifluoromethyl)pyrazole |
| InChI | InChI=1S/C5H5F3N2/c1-10-3-4(2-9-10)5(6,7)8/h2-3H,1H3 |
| InChI Key | NPLKYHVPFFORGG-UHFFFAOYSA-N |
| MDL Number | MFCD16619795 |
| Molecular Formula | C5H5F3N2 |
| Molecular Weight | 150.1018 |
| SMILES | CN1N=CC(C(F)(F)F)=C1 |
| Synonyms | 1-METHYL-4-(TRIFLUOROMETHYL)-1H-PYRAZOLE,
176214-16-7,
SCHEMBL2611113,
MFCD16619795,
ZINC97757745,
AKOS026670883,
AS-42734,
1H-Pyrazole, 1-methyl-4-(trifluoromethyl)-,
1-Methyl-4-(trifluoromethyl)-1H-pyrazole (stabilized over potassium carbonate),
1-methyl-4-(trifluoromethyl)pyrazole,
CID10920680,
|
| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.104g/mol |
| Monoisotopic Mass | 150.04g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number