| CAS Number | 1247899-26-8 |
| Catalog Number | AG01BFEZ(AGN-PC-0WOUXU) |
| Chemical Name | 4-bromo-1-(2-methanesulfonylethyl)-3,5-dimethyl-1H-pyrazole |
| IUPAC Name | 4-bromo-3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole |
| InChI | InChI=1S/C8H13BrN2O2S/c1-6-8(9)7(2)11(10-6)4-5-14(3,12)13/h4-5H2,1-3H3 |
| InChI Key | YTEZQBFXBJYAOE-UHFFFAOYSA-N |
| MDL Number | MFCD16691240 |
| Molecular Formula | C8H13BrN2O2S |
| Molecular Weight | 281.1700 |
| SMILES | CC1C(Br)=C(C)N(CCS(C)(=O)=O)N=1 |
| Synonyms | 4-bromo-1-(2-methanesulfonylethyl)-3,5-dimethyl-1H-pyrazole,
1247899-26-8,
ZINC50594004,
AKOS011408727,
NE52717,
Z1171237951,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.168g/mol |
| Monoisotopic Mass | 279.988g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number