| CAS Number | 99903-04-5 |
| Catalog Number | AG01EIU2(AGN-PC-0OPADV) |
| Chemical Name | 4-bromo-1H-imidazole-5-sulfonyl chloride |
| IUPAC Name | 4-bromo-1H-imidazole-5-sulfonyl chloride |
| InChI | InChI=1S/C3H2BrClN2O2S/c4-2-3(7-1-6-2)10(5,8)9/h1H,(H,6,7) |
| InChI Key | UEQKJPPYEUGWQS-UHFFFAOYSA-N |
| MDL Number | MFCD19381998 |
| Molecular Formula | C3H2BrClN2O2S |
| Molecular Weight | 245.4822 |
| SMILES | ClS(C1=C(Br)N=CN1)(=O)=O |
| Synonyms | 4-bromo-1H-imidazole-5-sulfonyl chloride,
99903-04-5,
1H-Imidazole-4-sulfonyl chloride, 5-bromo-,
AKOS006333662,
AKOS026730286,
ZINC100634657,
EN300-79501,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.871g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.475g/mol |
| Monoisotopic Mass | 243.871g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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