| CAS Number | 931325-46-1 |
| Catalog Number | AG01C49K |
| Chemical Name | 7-bromo-4H,5H-pyrrolo[1,2-a]quinoxalin-4-one |
| IUPAC Name | 7-bromo-5H-pyrrolo[1,2-a]quinoxalin-4-one |
| InChI | InChI=1S/C11H7BrN2O/c12-7-3-4-9-8(6-7)13-11(15)10-2-1-5-14(9)10/h1-6H,(H,13,15) |
| InChI Key | RNCKOJOKKQPZIB-UHFFFAOYSA-N |
| MDL Number | MFCD29763063 |
| Molecular Formula | C11H7BrN2O |
| Molecular Weight | 263.0901 |
| SMILES | BrC1=CC2NC(C3N(C=2C=C1)C=CC=3)=O |
| Synonyms | 7-Bromopyrrolo[1,2-A]quinoxalin-4(5h)-One,
7-bromo-4H,5H-pyrrolo[1,2-a]quinoxalin-4-one,
931325-46-1,
CHEMBL1231450,
HMS1839M12,
ZINC8610413,
AKOS023211458,
NCGC00113753-01,
AS-37393,
C800-1144,
Z2379802667,
BPU,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.094g/mol |
| Monoisotopic Mass | 261.974g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 34A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number