| CAS Number | 1027512-29-3 |
| Catalog Number | AG01BBLT |
| Chemical Name | 1-(5-Bromo-2-pyrazinyl)-2-pyrrolidinone |
| IUPAC Name | 1-(5-bromopyrazin-2-yl)pyrrolidin-2-one |
| InChI | InChI=1S/C8H8BrN3O/c9-6-4-11-7(5-10-6)12-3-1-2-8(12)13/h4-5H,1-3H2 |
| InChI Key | NFTRIXVTYIJOHF-UHFFFAOYSA-N |
| MDL Number | MFCD10688564 |
| Molecular Formula | C8H8BrN3O |
| Molecular Weight | 242.0726 |
| SMILES | C1CC(=O)N(C1)C2=CN=C(C=N2)Br |
| Synonyms | 1-(5-BROMOPYRAZIN-2-YL)PYRROLIDIN-2-ONE,
1027512-29-3,
SCHEMBL16498074,
ZINC44118199,
AKOS015945418,
MB08570,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.076g/mol |
| Monoisotopic Mass | 240.985g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number