| CAS Number | 1536789-90-8 |
| Catalog Number | AG01B5OI |
| Chemical Name | 3-Bromo-1-methanesulfonylpyrrolidine |
| IUPAC Name | 3-bromo-1-methylsulfonylpyrrolidine |
| InChI | InChI=1S/C5H10BrNO2S/c1-10(8,9)7-3-2-5(6)4-7/h5H,2-4H2,1H3 |
| InChI Key | LYGYJYCVIOQGHV-UHFFFAOYSA-N |
| MDL Number | MFCD23962075 |
| Molecular Formula | C5H10BrNO2S |
| Molecular Weight | 228.1074 |
| SMILES | CS(N1CC(Br)CC1)(=O)=O |
| Synonyms | 3-bromo-1-methanesulfonylpyrrolidine,
1536789-90-8,
AKOS019233688,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.104g/mol |
| Monoisotopic Mass | 226.962g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number