| CAS Number | 32602-11-2 |
| Catalog Number | AG00C6K5 |
| Chemical Name | 6-Quinoxalinecarboxylic acid, 2,3-bis(bromomethyl)- |
| IUPAC Name | 2,3-bis(bromomethyl)quinoxaline-6-carboxylic acid |
| InChI | InChI=1S/C11H8Br2N2O2/c12-4-9-10(5-13)15-8-3-6(11(16)17)1-2-7(8)14-9/h1-3H,4-5H2,(H,16,17) |
| InChI Key | QGKACHNDUYVGLW-UHFFFAOYSA-N |
| MDL Number | MFCD29472291 |
| Molecular Formula | C11H8Br2N2O2 |
| Molecular Weight | 360.0014 |
| SMILES | BrCC1=NC2=CC=C(C=C2N=C1CBr)C(=O)O |
| Synonyms | 6-Quinoxalinecarboxylic acid, 2,3-bis(bromomethyl)-,
32602-11-2,
SCHEMBL16639727,
AKOS030526780,
ZINC306147527,
CS-5348,
HY-21210,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 359.893g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.005g/mol |
| Monoisotopic Mass | 357.895g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number