| CAS Number | 1557521-89-7 |
| Catalog Number | AG01DD9D(AGN-PC-0WNNPO) |
| Chemical Name | 7-Bromo-1H,2H-pyrrolo[1,2-a]pyrazin-1-one |
| IUPAC Name | 7-bromo-2H-pyrrolo[1,2-a]pyrazin-1-one |
| InChI | InChI=1S/C7H5BrN2O/c8-5-3-6-7(11)9-1-2-10(6)4-5/h1-4H,(H,9,11) |
| InChI Key | DGTXTSXNQQYKRM-UHFFFAOYSA-N |
| MDL Number | MFCD22572433 |
| Molecular Formula | C7H5BrN2O |
| Molecular Weight | 213.0314 |
| SMILES | C1=CN2C=C(C=C2C(=O)N1)Br |
| Synonyms | 7-bromo-1H,2H-pyrrolo[1,2-a]pyrazin-1-one,
1557521-89-7,
7-Bromopyrrolo[1,2-a]pyrazin-1(2H)-one,
ZINC95942490,
AKOS023784823,
AKOS026727595,
NE21269,
CS-0055955,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.034g/mol |
| Monoisotopic Mass | 211.959g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 34A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number