TL;DR: Dibenzo-p-dioxin, 1-nitro-2,3,7,8-tetrachloro- (CAS 62782-12-1) is a chemical compound with molecular formula C12H3Cl4NO4 and molecular weight 364.88162 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,7,8-tetrachloro-1-nitrodibenzo-p-dioxin
Also Known As: 1-Nitro-2,3,7,8-tetrachlorodibenzo-p-dioxin, DIBENZO-p-DIOXIN, 1-NITRO-2,3,7,8-TETRACHLORO-, 2,3,7,8-TETRACHLORO-1-NITROOXANTHRENE, 2,3,7,8-tetrachloro-1-nitrodibenzo-p-dioxin, 1-Amino-2,3,7,8-tetrachlorodibenzo-p-dioxin
| Molecular Formula | C12H3Cl4NO4 |
| Molecular Weight | 364.88162 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 366.87866 Da |
| Heavy Atoms | 21 |
| Complexity | 423.0 |
| SMILES | C1=C2C(=CC(=C1Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)[N+](=O)[O-] |
| InChIKey | IXSTUEXABKYCLK-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that Dibenzo-p-dioxin, 1-nitro-2,3,7,8-tetrachloro- 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 Dibenzo-p-dioxin, 1-nitro-2,3,7,8-tetrachloro-. Following Lipinski's Rule of Five, Dibenzo-p-dioxin, 1-nitro-2,3,7,8-tetrachloro- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Dibenzo-p-dioxin, 1-nitro-2,3,7,8-tetrachloro- is 62782-12-1.
The molecular formula of Dibenzo-p-dioxin, 1-nitro-2,3,7,8-tetrachloro- is C12H3Cl4NO4.
The molecular weight of Dibenzo-p-dioxin, 1-nitro-2,3,7,8-tetrachloro- is 364.88162 g/mol.
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