| CAS Number | 1022438-79-4 |
| Catalog Number | AG008URI(AGN-PC-0WR0JV) |
| Chemical Name | 1-[(3-BROMOBENZENE)SULFONYL]HOMOPIPERIDINE |
| IUPAC Name | 1-(3-bromophenyl)sulfonylazepane |
| InChI | InChI=1S/C12H16BrNO2S/c13-11-6-5-7-12(10-11)17(15,16)14-8-3-1-2-4-9-14/h5-7,10H,1-4,8-9H2 |
| InChI Key | XDMGKPLXTVIENO-UHFFFAOYSA-N |
| MDL Number | MFCD12650323 |
| Molecular Formula | C12H16BrNO2S |
| Molecular Weight | 318.2299 |
| SMILES | Brc1cccc(c1)S(=O)(=O)N1CCCCCC1 |
| Synonyms | 1022438-79-4,
1-[(3-BROMOBENZENE)SULFONYL]HOMOPIPERIDINE,
1-((3-Bromophenyl)sulfonyl)azepane,
1-(3-bromophenyl)sulfonylazepane,
AC1MYF4O,
SCHEMBL3391959,
1-(3-bromophenylsulfonyl)azepane,
ZINC37382929,
AKOS008940927,
C-2397,
CID3855716,
|
| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.229g/mol |
| Monoisotopic Mass | 317.009g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number