| CAS Number | 1177336-51-4 |
| Catalog Number | AG01AKRC(AGN-PC-0WOQHP) |
| Chemical Name | 1-(Propan-2-yl)-1H-pyrazole-4-sulfonyl chloride |
| IUPAC Name | 1-propan-2-ylpyrazole-4-sulfonyl chloride |
| InChI | InChI=1S/C6H9ClN2O2S/c1-5(2)9-4-6(3-8-9)12(7,10)11/h3-5H,1-2H3 |
| InChI Key | NMTQIKMRKYKKBZ-UHFFFAOYSA-N |
| MDL Number | MFCD12403828 |
| Molecular Formula | C6H9ClN2O2S |
| Molecular Weight | 208.6659 |
| SMILES | CC(C)N1C=C(C=N1)S(=O)(=O)Cl |
| Synonyms | 1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride,
1-isopropyl-1H-pyrazole-4-sulfonyl chloride,
1177336-51-4,
SCHEMBL18007714,
BBL032217,
MFCD12403828,
STL373190,
AKOS010135449,
ZINC100259196,
MCULE-6975577118,
NE51654,
BS-13685,
BB 0220616,
FT-0755139,
EN300-84990,
F2158-1816,
1-(Propan-2-yl)-1H-pyrazole-4-sulfonyl chloride, AldrichCPR,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.66g/mol |
| Monoisotopic Mass | 208.007g/mol |
| Rotatable Bond Count | 2 |
| 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