| CAS Number | 305790-79-8 |
| Catalog Number | AG01B9PX |
| Chemical Name | 6-Bromo-4-methyl-3,4-dihydroquinoxalin-2(1H)-one |
| IUPAC Name | 6-bromo-4-methyl-1,3-dihydroquinoxalin-2-one |
| InChI | InChI=1S/C9H9BrN2O/c1-12-5-9(13)11-7-3-2-6(10)4-8(7)12/h2-4H,5H2,1H3,(H,11,13) |
| InChI Key | PEBBLUUDVVUJSY-UHFFFAOYSA-N |
| MDL Number | MFCD20488827 |
| Molecular Formula | C9H9BrN2O |
| Molecular Weight | 241.0846 |
| SMILES | CN1C2=C(C=CC(=C2)Br)NC(=O)C1 |
| Synonyms | 6-bromo-4-methyl-3,4-dihydroquinoxalin-2(1H)-one,
305790-79-8,
6-bromo-4-methyl-1,2,3,4-tetrahydroquinoxalin-2-one,
6-bromo-4-methyl-3,4-dihydro-1H-quinoxalin-2-one,
SCHEMBL1119436,
PEBBLUUDVVUJSY-UHFFFAOYSA-N,
ZINC86158694,
AKOS017843374,
A1-09433,
6-bromo-4-methyl- 3,4-dihydro-1H-quinoxalin-2-one,
Z2044768696,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.088g/mol |
| Monoisotopic Mass | 239.99g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number