| CAS Number | 140911-21-3 |
| Catalog Number | AG01BWZQ(AGN-PC-0O232L) |
| Chemical Name | 3-Bromo-1,2,5,6,7,8-hexahydroquinoxalin-2-one |
| IUPAC Name | 3-bromo-5,6,7,8-tetrahydro-1H-quinoxalin-2-one |
| InChI | InChI=1S/C8H9BrN2O/c9-7-8(12)11-6-4-2-1-3-5(6)10-7/h1-4H2,(H,11,12) |
| InChI Key | PWTOWLSCRXUWQA-UHFFFAOYSA-N |
| MDL Number | MFCD30477549 |
| Molecular Formula | C8H9BrN2O |
| Molecular Weight | 229.0739 |
| SMILES | BrC=1C(NC=2CCCCC2N1)=O |
| Synonyms | 3-bromo-1,2,5,6,7,8-hexahydroquinoxalin-2-one,
140911-21-3,
SCHEMBL16098979,
ZINC222430313,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.077g/mol |
| Monoisotopic Mass | 227.99g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number