| CAS Number | 1394040-91-5 |
| Catalog Number | AG019ZRA(AGN-PC-0WO5E0) |
| Chemical Name | 2-chloro-1-methyl-1H-imidazole-4-sulfonyl chloride |
| IUPAC Name | 2-chloro-1-methylimidazole-4-sulfonyl chloride |
| InChI | InChI=1S/C4H4Cl2N2O2S/c1-8-2-3(7-4(8)5)11(6,9)10/h2H,1H3 |
| InChI Key | FLCAGMHOGCKRGD-UHFFFAOYSA-N |
| MDL Number | MFCD22375316 |
| Molecular Formula | C4H4Cl2N2O2S |
| Molecular Weight | 215.0578 |
| SMILES | CN1C(Cl)=NC(S(Cl)(=O)=O)=C1 |
| Synonyms | 2-chloro-1-methyl-1H-imidazole-4-sulfonyl chloride,
1394040-91-5,
SCHEMBL2399893,
AKOS023785142,
ZINC100447743,
NE47161,
RP26882,
|
| 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 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number