| CAS Number | 2068151-92-6 |
| Catalog Number | AG01FS64(AGN-PC-3H5PPK) |
| Chemical Name | 2-Bromo-1-(4-chloro-1-methyl-1H-pyrazol-3-yl)ethanone |
| IUPAC Name | 2-bromo-1-(4-chloro-1-methylpyrazol-3-yl)ethanone |
| InChI | InChI=1S/C6H6BrClN2O/c1-10-3-4(8)6(9-10)5(11)2-7/h3H,2H2,1H3 |
| InChI Key | FEHFXWYHFBJPRR-UHFFFAOYSA-N |
| MDL Number | MFCD30502621 |
| Molecular Formula | C6H6BrClN2O |
| Molecular Weight | 237.4816 |
| SMILES | Cn1cc(c(n1)C(=O)CBr)Cl |
| Synonyms | 2-Bromo-1-(4-chloro-1-methyl-1H-pyrazol-3-yl)ethanone,
2068151-92-6,
2-Bromo-1-(4-chloro-1-methyl-1H-pyrazol-3-yl)-ethanone,
KS-00000UB5,
AK687014,
DS-20152,
N/A,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.9352g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.48g/mol |
| Monoisotopic Mass | 235.9352g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number