| CAS Number | 1156915-65-9 |
| Catalog Number | AG019D5E(AGN-PC-0WBBPK) |
| Chemical Name | 1-Isobutyl-1H-pyrazole-4-sulfonyl chloride |
| IUPAC Name | 1-(2-methylpropyl)pyrazole-4-sulfonyl chloride |
| InChI | InChI=1S/C7H11ClN2O2S/c1-6(2)4-10-5-7(3-9-10)13(8,11)12/h3,5-6H,4H2,1-2H3 |
| InChI Key | ZUUQAAYNIIUCBB-UHFFFAOYSA-N |
| MDL Number | MFCD09701483 |
| Molecular Formula | C7H11ClN2O2S |
| Molecular Weight | 222.6924 |
| SMILES | CC(CN1N=CC(S(Cl)(=O)=O)=C1)C |
| Synonyms | 1156915-65-9,
1-Isobutyl-1H-pyrazole-4-sulfonyl chloride,
MFCD09701483,
SBB024719,
STK351679,
ZINC59211816,
1-isobutylpyrazole-4-sulfonyl chloride,
AKOS005167670,
MCULE-3948878043,
chloro[1-(2-methylpropyl)pyrazol-4-yl]sulfone,
1-(2-methylpropyl)-1H-pyrazole-4-sulfonyl chloride,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.687g/mol |
| Monoisotopic Mass | 222.023g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number