| CAS Number | 1782834-36-9 |
| Catalog Number | AG01BSNM |
| Chemical Name | 2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazole-3-sulfonyl chloride |
| IUPAC Name | 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-sulfonyl chloride |
| InChI | InChI=1S/C7H9ClN2O2S/c1-10-7(13(8,11)12)5-3-2-4-6(5)9-10/h2-4H2,1H3 |
| InChI Key | XEFRGWIGMGMCCR-UHFFFAOYSA-N |
| MDL Number | MFCD28532210 |
| Molecular Formula | C7H9ClN2O2S |
| Molecular Weight | 220.6766 |
| SMILES | CN1C(S(Cl)(=O)=O)=C2C(CCC2)=N1 |
| Synonyms | 2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazole-3-sulfonyl chloride,
1782834-36-9,
ZINC215836535,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.671g/mol |
| Monoisotopic Mass | 220.007g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number