| CAS Number | 1527476-45-4 |
| Catalog Number | AG01BUAL |
| Chemical Name | 3-Bromo-1-Methyl-1H-Pyrazole-5-Carbonitrile |
| IUPAC Name | 5-bromo-2-methylpyrazole-3-carbonitrile |
| InChI | InChI=1S/C5H4BrN3/c1-9-4(3-7)2-5(6)8-9/h2H,1H3 |
| InChI Key | OWUIYQRIRLOCAQ-UHFFFAOYSA-N |
| MDL Number | MFCD30724021 |
| Molecular Formula | C5H4BrN3 |
| Molecular Weight | 186.0094 |
| SMILES | N#CC1=CC(Br)=NN1C |
| Synonyms | SCHEMBL15401757,
ZINC224888704,
3-Bromo-1-methyl-1H-pyrazole-5-carbonitrile,
1527476-45-4,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.012g/mol |
| Monoisotopic Mass | 184.959g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number