| CAS Number | 2060041-54-3 |
| Catalog Number | AG01BOQY |
| Chemical Name | 3-(bromodifluoromethyl)-1-methyl-1H-pyrazole |
| IUPAC Name | 3-[bromo(difluoro)methyl]-1-methylpyrazole |
| InChI | InChI=1S/C5H5BrF2N2/c1-10-3-2-4(9-10)5(6,7)8/h2-3H,1H3 |
| InChI Key | RMFNCXQJNQULBS-UHFFFAOYSA-N |
| MDL Number | MFCD30499456 |
| Molecular Formula | C5H5BrF2N2 |
| Molecular Weight | 211.0074 |
| SMILES | CN1N=C(C(Br)(F)F)C=C1 |
| Synonyms | 3-(bromodifluoromethyl)-1-methyl-1H-pyrazole,
2060041-54-3,
ZINC536955359,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.01g/mol |
| Monoisotopic Mass | 209.96g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number