| CAS Number | 1089212-57-6 |
| Catalog Number | AG01BS60(AGN-PC-0WBJPF) |
| Chemical Name | 4-Bromo-5-(difluoromethyl)-1-methyl-1H-pyrazole |
| IUPAC Name | 4-bromo-5-(difluoromethyl)-1-methylpyrazole |
| InChI | InChI=1S/C5H5BrF2N2/c1-10-4(5(7)8)3(6)2-9-10/h2,5H,1H3 |
| InChI Key | MUSQUSCBZVJWSS-UHFFFAOYSA-N |
| MDL Number | MFCD28528999 |
| Molecular Formula | C5H5BrF2N2 |
| Molecular Weight | 211.0074 |
| SMILES | CN1C(C(F)F)=C(Br)C=N1 |
| Synonyms | 4-bromo-5-(difluoromethyl)-1-methyl-1H-pyrazole,
1089212-57-6,
MFCD28528999,
AKOS024082776,
ZINC215095478,
|
| Complexity | 122 |
| 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