| CAS Number | 1248365-27-6 |
| Catalog Number | AG01DYKU |
| Chemical Name | 2-(4-Bromo-1H-pyrazol-1-yl)-6-(trifluoromethyl)pyridine |
| IUPAC Name | 2-(4-bromopyrazol-1-yl)-6-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C9H5BrF3N3/c10-6-4-14-16(5-6)8-3-1-2-7(15-8)9(11,12)13/h1-5H |
| InChI Key | AZTRCNDFTITVNF-UHFFFAOYSA-N |
| MDL Number | MFCD16103972 |
| Molecular Formula | C9H5BrF3N3 |
| Molecular Weight | 292.0553 |
| SMILES | FC(C1=NC(N2N=CC(Br)=C2)=CC=C1)(F)F |
| Synonyms | AKOS011047752,
2-(4-bromo-1H-pyrazol-1-yl)-6-(trifluoromethyl)pyridine,
1248365-27-6,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.059g/mol |
| Monoisotopic Mass | 290.962g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number