| CAS Number | 1368131-86-5 |
| Catalog Number | AG019Y4L |
| Chemical Name | 7-Bromo-4-methyl-1,2,3,4-tetrahydroquinoxalin-2-one |
| IUPAC Name | 7-bromo-4-methyl-1,3-dihydroquinoxalin-2-one |
| InChI | InChI=1S/C9H9BrN2O/c1-12-5-9(13)11-7-4-6(10)2-3-8(7)12/h2-4H,5H2,1H3,(H,11,13) |
| InChI Key | XVTZCPRZOULUOC-UHFFFAOYSA-N |
| MDL Number | MFCD21643157 |
| Molecular Formula | C9H9BrN2O |
| Molecular Weight | 241.0846 |
| SMILES | CN1C2=C(C=C(C=C2)Br)NC(=O)C1 |
| Synonyms | 1368131-86-5,
7-Bromo-4-methyl-3,4-dihydroquinoxalin-2(1H)-one,
7-bromo-4-methyl-1,2,3,4-tetrahydroquinoxalin-2-one,
ZINC82238534,
AKOS017441824,
MCULE-5119402334,
NE16761,
Z1795818230,
|
| 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