| CAS Number | 1082872-21-6 |
| Catalog Number | AG01B5M5 |
| Chemical Name | 4-Bromo-1-(methylsulfonyl)piperidine |
| IUPAC Name | 4-bromo-1-methylsulfonylpiperidine |
| InChI | InChI=1S/C6H12BrNO2S/c1-11(9,10)8-4-2-6(7)3-5-8/h6H,2-5H2,1H3 |
| InChI Key | HPDJCNCSOTUFOE-UHFFFAOYSA-N |
| MDL Number | MFCD11612741 |
| Molecular Formula | C6H12BrNO2S |
| Molecular Weight | 242.1340 |
| SMILES | O=S(N1CCC(Br)CC1)(C)=O |
| Synonyms | 4-bromo-1-methanesulfonylpiperidine,
1082872-21-6,
SCHEMBL19615414,
MFCD11612741,
ZINC19783752,
AKOS017561999,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.131g/mol |
| Monoisotopic Mass | 240.977g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number