| CAS Number | 1311317-12-0 |
| Catalog Number | AG01AHAC(AGN-PC-0WOAEC) |
| Chemical Name | 2-bromo-1-(1,3-dimethyl-1H-pyrazol-4-yl)ethan-1-one hydrobromide |
| IUPAC Name | 2-bromo-1-(1,3-dimethylpyrazol-4-yl)ethanone;hydrobromide |
| InChI | InChI=1S/C7H9BrN2O.BrH/c1-5-6(7(11)3-8)4-10(2)9-5;/h4H,3H2,1-2H3;1H |
| InChI Key | MORURTNWJHRRPQ-UHFFFAOYSA-N |
| MDL Number | MFCD18483263 |
| Molecular Formula | C7H10Br2N2O |
| Molecular Weight | 297.9751 |
| SMILES | Br.CC1C(C(CBr)=O)=CN(C)N=1 |
| Synonyms | 2-bromo-1-(1,3-dimethyl-1H-pyrazol-4-yl)ethan-1-one hydrobromide,
1311317-12-0,
AKOS026729415,
EN300-74165,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.914g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.978g/mol |
| Monoisotopic Mass | 295.916g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number