TL;DR: 6-Bromo-7-nitroquinoxaline (CAS 113269-09-3) is a chemical compound with molecular formula C8H4BrN3O2 and molecular weight 252.94868 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-bromo-7-nitroquinoxaline
Also Known As: 6-bromo-7-nitroquinoxaline, Quinoxaline, 6-bromo-7-nitro-, 7-bromo-6-nitroquinoxaline, 6-bromo-7-nitro-quinoxaline, Quinoxaline,6-bromo-7-nitro
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H4BrN3O2 |
| Molecular Weight | 252.94868 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 71.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 252.94868 Da |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
| SMILES | C1=CN=C2C=C(C(=CC2=N1)[N+](=O)[O-])Br |
| InChIKey | BPMUIFQVTOCTEL-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromo-7-nitroquinoxaline. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Bromo-7-nitroquinoxaline. Following Lipinski's Rule of Five, 6-Bromo-7-nitroquinoxaline has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-Bromo-7-nitroquinoxaline is 113269-09-3.
The molecular formula of 6-Bromo-7-nitroquinoxaline is C8H4BrN3O2.
The molecular weight of 6-Bromo-7-nitroquinoxaline is 252.94868 g/mol.
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