| CAS Number | 2095410-83-4 |
| Catalog Number | AG01E8XZ |
| Chemical Name | 3-(Bromomethyl)-1-methyl-1H-pyrazole hydrobromide |
| IUPAC Name | 3-(bromomethyl)-1-methylpyrazole;hydrobromide |
| InChI | InChI=1S/C5H7BrN2.BrH/c1-8-3-2-5(4-6)7-8;/h2-3H,4H2,1H3;1H |
| InChI Key | JFBJUZRSFHTJKP-UHFFFAOYSA-N |
| MDL Number | MFCD30730550 |
| Molecular Formula | C5H8Br2N2 |
| Molecular Weight | 255.9384 |
| SMILES | Br.CN1N=C(CBr)C=C1 |
| Synonyms | 3-(Bromomethyl)-1-methyl-1H-pyrazole hydrobromide,
2095410-83-4,
|
| Complexity | 76.8 |
| 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 | 1 |
| 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