| CAS Number | 1311317-78-8 |
| Catalog Number | AG01AIVN(AGN-PC-0WO60F) |
| Chemical Name | 4-(2-Bromoethyl)-1-methyl-1H-pyrazole hydrobromide |
| IUPAC Name | 4-(2-bromoethyl)-1-methylpyrazole;hydrobromide |
| InChI | InChI=1S/C6H9BrN2.BrH/c1-9-5-6(2-3-7)4-8-9;/h4-5H,2-3H2,1H3;1H |
| InChI Key | FVBWEQIZSCNQOM-UHFFFAOYSA-N |
| MDL Number | MFCD18917408 |
| Molecular Formula | C6H10Br2N2 |
| Molecular Weight | 269.9650 |
| SMILES | Br.CN1N=CC(CCBr)=C1 |
| Synonyms | 4-(2-bromoethyl)-1-methyl-1H-pyrazole hydrobromide,
1311317-78-8,
AKOS026728056,
NE49202,
EN300-79139,
|
| Complexity | 87.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.919g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.968g/mol |
| Monoisotopic Mass | 267.921g/mol |
| Rotatable Bond Count | 2 |
| 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