| CAS Number | 1156602-97-9 |
| Catalog Number | AG01A6NK(AGN-PC-0WO7GO) |
| Chemical Name | 3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazole-4-sulfonyl chloride |
| IUPAC Name | 3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride |
| InChI | InChI=1S/C9H15ClN2O2S/c1-6(2)5-12-8(4)9(7(3)11-12)15(10,13)14/h6H,5H2,1-4H3 |
| InChI Key | JJVAWKPCVGZSNI-UHFFFAOYSA-N |
| MDL Number | MFCD12192675 |
| Molecular Formula | C9H15ClN2O2S |
| Molecular Weight | 250.7456 |
| SMILES | CC(CN1C(C)=C(S(Cl)(=O)=O)C(C)=N1)C |
| Synonyms | 3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazole-4-sulfonyl chloride,
1156602-97-9,
ZINC59312390,
AKOS009582002,
NE39028,
1-Isobutyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.741g/mol |
| Monoisotopic Mass | 250.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number