| CAS Number | 1447607-04-6 |
| Catalog Number | AG00HX7C(AGN-PC-0WQX1Y) |
| Chemical Name | 1-(3,6-Dibromopyrazin-2-yl)ethan-1-one |
| IUPAC Name | 1-(3,6-dibromopyrazin-2-yl)ethanone |
| InChI | InChI=1S/C6H4Br2N2O/c1-3(11)5-6(8)9-2-4(7)10-5/h2H,1H3 |
| InChI Key | LYNSOUULQBWFBJ-UHFFFAOYSA-N |
| MDL Number | MFCD25542000 |
| Molecular Formula | C6H4Br2N2O |
| Molecular Weight | 279.9168 |
| SMILES | CC(=O)C1=NC(Br)=CN=C1Br |
| Synonyms | 1-(3,6-DIBROMOPYRAZIN-2-YL)ETHANONE,
1447607-04-6,
1-(3,6-Dibromopyrazin-2-yl)ethan-1-one,
MFCD25542000,
ZINC95803024,
AKOS027339325,
AS-41677,
X-3149,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.867g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.919g/mol |
| Monoisotopic Mass | 277.869g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number