| CAS Number | 1394041-92-9 |
| Catalog Number | AG019ZBD(AGN-PC-0WO3HN) |
| Chemical Name | 2-Chloro-1-methyl-1H-imidazole-5-sulfonyl chloride |
| IUPAC Name | 2-chloro-3-methylimidazole-4-sulfonyl chloride |
| InChI | InChI=1S/C4H4Cl2N2O2S/c1-8-3(11(6,9)10)2-7-4(8)5/h2H,1H3 |
| InChI Key | GIWODFAWCYMEFL-UHFFFAOYSA-N |
| MDL Number | MFCD22375230 |
| Molecular Formula | C4H4Cl2N2O2S |
| Molecular Weight | 215.0578 |
| SMILES | CN1C(S(Cl)(=O)=O)=CN=C1Cl |
| Synonyms | 2-chloro-1-methyl-1H-imidazole-5-sulfonyl chloride,
1394041-92-9,
AKOS023785141,
ZINC100445202,
NE52051,
RP26883,
Z1962167168,
|
| 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 |
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Certificate of Analysis
Lot Number