| CAS Number | 101257-84-5 |
| Catalog Number | AG01AHTV(AGN-PC-0A9YLK) |
| Chemical Name | 1-methyl-4-nitro-1H-imidazole-5-sulfonyl chloride |
| IUPAC Name | 3-methyl-5-nitroimidazole-4-sulfonyl chloride |
| InChI | InChI=1S/C4H4ClN3O4S/c1-7-2-6-3(8(9)10)4(7)13(5,11)12/h2H,1H3 |
| InChI Key | HPQGYIQIVWZUCN-UHFFFAOYSA-N |
| MDL Number | MFCD16093691 |
| Molecular Formula | C4H4ClN3O4S |
| Molecular Weight | 225.6103 |
| SMILES | CN1C(S(Cl)(=O)=O)=C([N+]([O-])=O)N=C1 |
| Synonyms | 1-methyl-4-nitro-1H-imidazole-5-sulfonyl chloride,
101257-84-5,
3-methyl-5-nitro-3H-imidazole-4-sulfonyl chloride,
AKOS010995678,
ZINC100630301,
NE26541,
EN300-75800,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.603g/mol |
| Monoisotopic Mass | 224.961g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number