| CAS Number | 1338976-16-1 |
| Catalog Number | AG01AL0S(AGN-PC-0WCN2S) |
| Chemical Name | 1-(propan-2-yl)-1H-imidazole-4-sulfonyl chloride |
| IUPAC Name | 1-propan-2-ylimidazole-4-sulfonyl chloride |
| InChI | InChI=1S/C6H9ClN2O2S/c1-5(2)9-3-6(8-4-9)12(7,10)11/h3-5H,1-2H3 |
| InChI Key | ANCMLGODQYIJMA-UHFFFAOYSA-N |
| MDL Number | MFCD19662431 |
| Molecular Formula | C6H9ClN2O2S |
| Molecular Weight | 208.6659 |
| SMILES | CC(N1C=C(S(Cl)(=O)=O)N=C1)C |
| Synonyms | 1-(propan-2-yl)-1H-imidazole-4-sulfonyl chloride,
1338976-16-1,
AKOS013462163,
ZINC100492505,
MCULE-4911839597,
1-isopropyl-1H-imidazole-4-sulfonyl chloride,
EN300-85972,
L-4299,
F2158-1666,
1-propan-2-ylimidazole-4-sulfonyl chloride,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.66g/mol |
| Monoisotopic Mass | 208.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number