| CAS Number | 1422344-41-9 |
| Catalog Number | AG00HWF7(AGN-PC-0WG3XB) |
| Chemical Name | 3-Bromo-1-(toluene-4-sulfonyl)-1H-pyrazole |
| IUPAC Name | 3-bromo-1-(4-methylphenyl)sulfonylpyrazole |
| InChI | InChI=1S/C10H9BrN2O2S/c1-8-2-4-9(5-3-8)16(14,15)13-7-6-10(11)12-13/h2-7H,1H3 |
| InChI Key | YCPRATGWCKDEOK-UHFFFAOYSA-N |
| MDL Number | MFCD21362360 |
| Molecular Formula | C10H9BrN2O2S |
| Molecular Weight | 301.1597 |
| SMILES | Cc1ccc(cc1)S(=O)(=O)n1ccc(Br)n1 |
| Synonyms | 1422344-41-9,
3-Bromo-1-(toluene-4-sulfonyl)-1H-pyrazole,
3-Bromo-1-tosyl-1H-pyrazole,
MFCD21362360,
ZINC96024125,
3-bromo-1-(4-methylphenyl)sulfonylpyrazole,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.957g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.158g/mol |
| Monoisotopic Mass | 299.957g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number