| CAS Number | 1891295-27-4 |
| Catalog Number | AG01BJ2N |
| Chemical Name | Methyl 6-amino-5-bromopyrazine-2-carboxylate |
| IUPAC Name | methyl 6-amino-5-bromopyrazine-2-carboxylate |
| InChI | InChI=1S/C6H6BrN3O2/c1-12-6(11)3-2-9-4(7)5(8)10-3/h2H,1H3,(H2,8,10) |
| InChI Key | PMFMQOQZIXTHMQ-UHFFFAOYSA-N |
| MDL Number | MFCD31380934 |
| Molecular Formula | C6H6BrN3O2 |
| Molecular Weight | 232.0347 |
| SMILES | COC(C1=NC(N)=C(Br)N=C1)=O |
| Synonyms | methyl 6-amino-5-bromopyrazine-2-carboxylate,
1891295-27-4,
ZINC258034998,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.037g/mol |
| Monoisotopic Mass | 230.964g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number