| CAS Number | 285995-01-9 |
| Catalog Number | AG01ATAA |
| Chemical Name | 4-(4-Bromobenzenesulfonyl)piperidine |
| IUPAC Name | 4-(4-bromophenyl)sulfonylpiperidine |
| InChI | InChI=1S/C11H14BrNO2S/c12-9-1-3-10(4-2-9)16(14,15)11-5-7-13-8-6-11/h1-4,11,13H,5-8H2 |
| InChI Key | JLFNPSVUHQMQHA-UHFFFAOYSA-N |
| MDL Number | MFCD13192679 |
| Molecular Formula | C11H14BrNO2S |
| Molecular Weight | 304.2034 |
| SMILES | BrC1=CC=C(S(C2CCNCC2)(=O)=O)C=C1 |
| Synonyms | 4-(4-bromophenylsulfonyl)piperidine,
285995-01-9,
4-(4-bromophenyl)sulfonylpiperidine,
AC1MC43Z,
SCHEMBL5212189,
CTK5I7681,
JLFNPSVUHQMQHA-UHFFFAOYSA-N,
ZINC154137,
4-(4-Bromophenylsulphonyl)piperidine,
4-(4-Bromo-benzenesulfonyl)-piperidine,
SC-56217,
BC4157613,
4-[(4-BROMOPHENYL)SULFONYL]PIPERIDINE,
EN300-241634,
CID2761070,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.202g/mol |
| Monoisotopic Mass | 302.993g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number