| CAS Number | 1000927-51-4 |
| Catalog Number | AG01AHXE |
| Chemical Name | 1-(2-[(4-Bromobenzene)sulfonyl]ethyl)piperidin-4-ol |
| IUPAC Name | 1-[2-(4-bromophenyl)sulfonylethyl]piperidin-4-ol |
| InChI | InChI=1S/C13H18BrNO3S/c14-11-1-3-13(4-2-11)19(17,18)10-9-15-7-5-12(16)6-8-15/h1-4,12,16H,5-10H2 |
| InChI Key | GCSFWYZYIYSMGG-UHFFFAOYSA-N |
| MDL Number | MFCD10591663 |
| Molecular Formula | C13H18BrNO3S |
| Molecular Weight | 348.2559 |
| SMILES | OC1CCN(CCS(C2=CC=C(Br)C=C2)(=O)=O)CC1 |
| Synonyms | 1-[2-(4-bromobenzenesulfonyl)ethyl]piperidin-4-ol,
1000927-51-4,
ZINC12822261,
AKOS008945568,
MCULE-9764383306,
NE40412,
EN300-76086,
1-{2-[(4-bromobenzene)sulfonyl]ethyl}piperidin-4-ol,
Z46457368,
|
| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.255g/mol |
| Monoisotopic Mass | 347.019g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number