| CAS Number | 1339694-88-0 |
| Catalog Number | AG01A03E(AGN-PC-0WO0EC) |
| Chemical Name | 1-(butan-2-yl)-1H-imidazole-4-sulfonyl chloride |
| IUPAC Name | 1-butan-2-ylimidazole-4-sulfonyl chloride |
| InChI | InChI=1S/C7H11ClN2O2S/c1-3-6(2)10-4-7(9-5-10)13(8,11)12/h4-6H,3H2,1-2H3 |
| InChI Key | ASFFQUTUDZAARR-UHFFFAOYSA-N |
| MDL Number | MFCD19662462 |
| Molecular Formula | C7H11ClN2O2S |
| Molecular Weight | 222.6924 |
| SMILES | CCC(N1C=C(S(Cl)(=O)=O)N=C1)C |
| Synonyms | 1-(butan-2-yl)-1H-imidazole-4-sulfonyl chloride,
1339694-88-0,
AKOS013462368,
NE52166,
RP27424,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.687g/mol |
| Monoisotopic Mass | 222.023g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number