| CAS Number | 5775-85-9 |
| Catalog Number | AG01AUS7 |
| Chemical Name | 4-Bromo-1,3-Dimethyl-1H-Pyrazole Hydrobromide |
| IUPAC Name | 4-bromo-1,3-dimethylpyrazole;hydrobromide |
| InChI | InChI=1S/C5H7BrN2.BrH/c1-4-5(6)3-8(2)7-4;/h3H,1-2H3;1H |
| InChI Key | DNBHTSYDZFJSHE-UHFFFAOYSA-N |
| MDL Number | MFCD29041192 |
| Molecular Formula | C5H8Br2N2 |
| Molecular Weight | 255.9384 |
| SMILES | CC1=NN(C)C=C1Br.[H]Br |
| Synonyms | 4-bromo-1,3-dimethyl-1H-pyrazole hydrobromide,
5775-85-9,
Z2235790808,
|
| Complexity | 86.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.903g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.941g/mol |
| Monoisotopic Mass | 253.905g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number