HuagongsheHuagongshe Chemistry Print Report · For research reference only
6-Chloro-2-methylquinoxaline
6-Chloro-2-methylquinoxaline · Quinoxaline, 6-chloro-2-methyl-
Identifiers & Physical Properties
| CAS No. | 1932-67-8 |
|---|---|
| Molecular formula | C9H7ClN2 |
| Average molar mass | 178.62 g/mol |
| Monoisotopic mass | 178.0297759 g/mol |
| SMILES | Cc1cnc2cc(Cl)ccc2n1 |
| InChIKey | DJACXKBXNSFQAU-UHFFFAOYSA-N |
| PubChem CID | 289727 |
| DTXSID | DTXSID80302574 |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 25.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 163 |
| Melting point | 131 °C |
| Boiling point | 281.5±35.0 °C(Predicted) |
| Density | 1.292±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 0.11±0.30(Predicted) |