| CAS Number | 1334331-42-8 |
| Catalog Number | AG01B6RF |
| Chemical Name | 8-chloro-4H,5H-imidazo[1,5-a]quinoxalin-4-one |
| IUPAC Name | 8-chloro-5H-imidazo[1,5-a]quinoxalin-4-one |
| InChI | InChI=1S/C10H6ClN3O/c11-6-1-2-7-8(3-6)14-5-12-4-9(14)10(15)13-7/h1-5H,(H,13,15) |
| InChI Key | RSPSBLMJISTJKJ-UHFFFAOYSA-N |
| MDL Number | MFCD29070108 |
| Molecular Formula | C10H6ClN3O |
| Molecular Weight | 219.6271 |
| SMILES | ClC1=CC2=C(NC(C3N2C=NC=3)=O)C=C1 |
| Synonyms | 8-chloro-4H,5H-imidazo[1,5-a]quinoxalin-4-one,
1334331-42-8,
SCHEMBL2468642,
RSPSBLMJISTJKJ-UHFFFAOYSA-N,
AKOS033947775,
ZINC126845548,
8-Chloroimidazo[1,5-a]quinoxalin-4(5H)-one,
Z2582143627,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.628g/mol |
| Monoisotopic Mass | 219.02g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number