2,1,3-Benzoxadiazole, 4,6-dichloro-5,7-dinitro-, 3-oxide
TL;DR: 2,1,3-Benzoxadiazole, 4,6-dichloro-5,7-dinitro-, 3-oxide (CAS 117907-71-8) is a chemical compound with molecular formula C6Cl2N4O6 and molecular weight 293.9195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,6-dichloro-5,7-dinitro-3-oxido-2,1,3-benzoxadiazol-3-ium
Also Known As: 5,7-Dichloro-4,6-dinitrobenzofuroxan, 2,1,3-Benzoxadiazole, 4,6-dichloro-5,7-dinitro-, 3-oxide, A2396/0101462, 4,6-dichloro-5,7-dinitro-3-oxido-2,1,3-benzoxadiazol-3-ium, 5,7-Dichloro-4,6-dinitro-1-oxo-2,1lambda~5~,3-benzoxadiazole
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6Cl2N4O6 |
| Molecular Weight | 293.9195 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 293.9195 Da |
| Heavy Atoms | 18 |
| Complexity | 374.0 |
| SMILES | C1(=C(C2=[N+](ON=C2C(=C1Cl)[N+](=O)[O-])[O-])Cl)[N+](=O)[O-] |
| InChIKey | OMVXFMLRNAVEHQ-UHFFFAOYSA-N |
Chemical Property Profile of 2,1,3-Benzoxadiazole, 4,6-dichloro-5,7-dinitro-, 3-oxide
Property Insights of 2,1,3-Benzoxadiazole, 4,6-dichloro-5,7-dinitro-, 3-oxide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1,3-Benzoxadiazole, 4,6-dichloro-5,7-dinitro-, 3-oxide. The TPSA of 143.0 Ų indicates high polarity, suggesting 2,1,3-Benzoxadiazole, 4,6-dichloro-5,7-dinitro-, 3-oxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,1,3-Benzoxadiazole, 4,6-dichloro-5,7-dinitro-, 3-oxide has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,1,3-Benzoxadiazole, 4,6-dichloro-5,7-dinitro-, 3-oxide?
The CAS number of 2,1,3-Benzoxadiazole, 4,6-dichloro-5,7-dinitro-, 3-oxide is 117907-71-8.
What is the molecular formula of 2,1,3-Benzoxadiazole, 4,6-dichloro-5,7-dinitro-, 3-oxide?
The molecular formula of 2,1,3-Benzoxadiazole, 4,6-dichloro-5,7-dinitro-, 3-oxide is C6Cl2N4O6.
What is the molecular weight of 2,1,3-Benzoxadiazole, 4,6-dichloro-5,7-dinitro-, 3-oxide?
The molecular weight of 2,1,3-Benzoxadiazole, 4,6-dichloro-5,7-dinitro-, 3-oxide is 293.9195 g/mol.
Where can I buy 2,1,3-Benzoxadiazole, 4,6-dichloro-5,7-dinitro-, 3-oxide?
You can request a quote for 2,1,3-Benzoxadiazole, 4,6-dichloro-5,7-dinitro-, 3-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,1,3-Benzoxadiazole, 4,6-dichloro-5,7-dinitro-, 3-oxide?
Yes, CoreyChem provides custom synthesis services for 2,1,3-Benzoxadiazole, 4,6-dichloro-5,7-dinitro-, 3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.