| CAS Number | 1017603-87-0 |
| Catalog Number | AG01DSYJ(AGN-PC-0CV941) |
| Chemical Name | Methyl 6-bromo-5-chloro-2-pyrazinecarboxylate |
| IUPAC Name | methyl 6-bromo-5-chloropyrazine-2-carboxylate |
| InChI | InChI=1S/C6H4BrClN2O2/c1-12-6(11)3-2-9-5(8)4(7)10-3/h2H,1H3 |
| InChI Key | PMNRFTVMUXRTFN-UHFFFAOYSA-N |
| MDL Number | MFCD31559718 |
| Molecular Formula | C6H4BrClN2O2 |
| Molecular Weight | 251.4652 |
| SMILES | COC(C1=NC(Br)=C(Cl)N=C1)=O |
| Synonyms | methyl 6-bromo-5-chloropyrazine-2-carboxylate,
1017603-87-0,
SCHEMBL3247114,
PMNRFTVMUXRTFN-UHFFFAOYSA-N,
6-Bromo-5-chloro-pyrazine-2-carboxylic acid methyl ester,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.914g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.464g/mol |
| Monoisotopic Mass | 249.914g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number