| CAS Number | 1245807-31-1 |
| Catalog Number | AG019CIS(AGN-PC-0WBCWC) |
| Chemical Name | 4-Chloro-1-methyl-1H-pyrazole-5-sulfonyl chloride |
| IUPAC Name | 4-chloro-2-methylpyrazole-3-sulfonyl chloride |
| InChI | InChI=1S/C4H4Cl2N2O2S/c1-8-4(11(6,9)10)3(5)2-7-8/h2H,1H3 |
| InChI Key | QAISCMHOYPFPLT-UHFFFAOYSA-N |
| MDL Number | MFCD15976272 |
| Molecular Formula | C4H4Cl2N2O2S |
| Molecular Weight | 215.0578 |
| SMILES | CN1C(S(Cl)(=O)=O)=C(Cl)C=N1 |
| Synonyms | 4-Chloro-1-methyl-1H-pyrazole-5-sulfonyl chloride,
1245807-31-1,
MFCD15976272,
SBB046641,
AKOS005169396,
ZINC100804761,
MCULE-9432884820,
chloro(4-chloro-1-methylpyrazol-5-yl)sulfone,
4-chloro-2-methyl-pyrazole-3-sulfonyl chloride,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.048g/mol |
| Monoisotopic Mass | 213.937g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number