| CAS Number | 1017604-40-8 |
| Catalog Number | AG01CA9K |
| Chemical Name | 6-Bromo-5-chloropyrazine-2-carboxylic acid |
| IUPAC Name | 6-bromo-5-chloropyrazine-2-carboxylic acid |
| InChI | InChI=1S/C5H2BrClN2O2/c6-3-4(7)8-1-2(9-3)5(10)11/h1H,(H,10,11) |
| InChI Key | JUYYXLOQLBQRCE-UHFFFAOYSA-N |
| MDL Number | MFCD18073162 |
| Molecular Formula | C5H2BrClN2O2 |
| Molecular Weight | 237.4386 |
| SMILES | BrC1=C(N=CC(=N1)C(=O)O)Cl |
| Synonyms | 6-Bromo-5-chloropyrazine-2-carboxylic acid,
1017604-40-8,
SCHEMBL3257696,
JUYYXLOQLBQRCE-UHFFFAOYSA-N,
6-bromo-5-chloro-pyrazine-2-carboxylic acid,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.899g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.437g/mol |
| Monoisotopic Mass | 235.899g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number