| CAS Number | 1094331-66-4 |
| Catalog Number | AG01A25C(AGN-PC-0WO9RE) |
| Chemical Name | N-(3-bromopropyl)ethane-1-sulfonamide |
| IUPAC Name | N-(3-bromopropyl)ethanesulfonamide |
| InChI | InChI=1S/C5H12BrNO2S/c1-2-10(8,9)7-5-3-4-6/h7H,2-5H2,1H3 |
| InChI Key | ZKGNGNAOOLVCIJ-UHFFFAOYSA-N |
| MDL Number | MFCD11133523 |
| Molecular Formula | C5H12BrNO2S |
| Molecular Weight | 230.1233 |
| SMILES | CCS(NCCCBr)(=O)=O |
| Synonyms | N-(3-bromopropyl)ethane-1-sulfonamide,
1094331-66-4,
ZINC36721528,
AKOS009288692,
NE32691,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.12g/mol |
| Monoisotopic Mass | 228.977g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number