TL;DR: 2,3-Dichloro-7-nitrodibenzo-4-dioxin (CAS 71721-78-3) is a chemical compound with molecular formula C12H5Cl2NO4 and molecular weight 296.95956 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dichloro-7-nitrodibenzo-p-dioxin
Also Known As: 7-Nitro-2,3-dichlorodibenzo-p-dioxin, 2,3-dichloro-7-nitrodibenzo-p-dioxin, 2,3-Dichloro-7-nitrodibenzo-4-dioxin, 2,3-dichloro-7-nitrooxanthrene, 2,3-Dichloro-7-nitro-dibenzo-p-dioxin
| Molecular Formula | C12H5Cl2NO4 |
| Molecular Weight | 296.95956 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 296.95956 Da |
| Heavy Atoms | 19 |
| Complexity | 364.0 |
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])OC3=CC(=C(C=C3O2)Cl)Cl |
| InChIKey | QUPDTYKBWONTFE-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 2,3-Dichloro-7-nitrodibenzo-4-dioxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dichloro-7-nitrodibenzo-4-dioxin. Following Lipinski's Rule of Five, 2,3-Dichloro-7-nitrodibenzo-4-dioxin 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 2,3-Dichloro-7-nitrodibenzo-4-dioxin is 71721-78-3.
The molecular formula of 2,3-Dichloro-7-nitrodibenzo-4-dioxin is C12H5Cl2NO4.
The molecular weight of 2,3-Dichloro-7-nitrodibenzo-4-dioxin is 296.95956 g/mol.
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