| CAS Number | 1909337-29-6 |
| Catalog Number | AG01AJ50 |
| Chemical Name | 5-chloro-4-(difluoromethyl)-1-methyl-1H-pyrazole |
| IUPAC Name | 5-chloro-4-(difluoromethyl)-1-methylpyrazole |
| InChI | InChI=1S/C5H5ClF2N2/c1-10-4(6)3(2-9-10)5(7)8/h2,5H,1H3 |
| InChI Key | XJZJGMWNIVDMEJ-UHFFFAOYSA-N |
| MDL Number | MFCD29907468 |
| Molecular Formula | C5H5ClF2N2 |
| Molecular Weight | 166.5564 |
| SMILES | CN1C(Cl)=C(C(F)F)C=N1 |
| Synonyms | 5-chloro-4-(difluoromethyl)-1-methyl-1H-pyrazole,
1909337-29-6,
ZINC307431308,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.556g/mol |
| Monoisotopic Mass | 166.011g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number