| CAS Number | 1783749-68-7 |
| Catalog Number | AG01B76L |
| Chemical Name | 5-bromo-1-methyl-4-(trifluoromethyl)-1H-pyrazole |
| IUPAC Name | 5-bromo-1-methyl-4-(trifluoromethyl)pyrazole |
| InChI | InChI=1S/C5H4BrF3N2/c1-11-4(6)3(2-10-11)5(7,8)9/h2H,1H3 |
| InChI Key | ZOCNGCZWIOOWRP-UHFFFAOYSA-N |
| MDL Number | MFCD26516243 |
| Molecular Formula | C5H4BrF3N2 |
| Molecular Weight | 228.9979 |
| SMILES | CN1C(Br)=C(C(F)(F)F)C=N1 |
| Synonyms | 5-Bromo-1-methyl-4-(trifluoromethyl)-1H-pyrazole,
1783749-68-7,
ZINC221817582,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229g/mol |
| Monoisotopic Mass | 227.951g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number