TL;DR: 2-Fluoro-3,7,8-trichlorodibenzo-p-dioxin (CAS 112317-15-4) is a chemical compound with molecular formula C12H4Cl3FO2 and molecular weight 303.9261 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,7-trichloro-8-fluorodibenzo-p-dioxin
Also Known As: 2-Fluoro-3,7,8-trichlorodibenzo-p-dioxin, 2,3,7-trichloro-8-fluorooxanthrene, 2,3,7-trichloro-8-fluorodibenzo-p-dioxin, 3,7,8-Trichloro-8-fluorodibenzo-p-dioxin, Dibenzo(b,e)(1,4)dioxin, 2,3,7-trichloro-8-fluoro-
| Molecular Formula | C12H4Cl3FO2 |
| Molecular Weight | 303.9261 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 303.9261 Da |
| Heavy Atoms | 18 |
| Complexity | 320.0 |
| SMILES | C1=C2C(=CC(=C1F)Cl)OC3=CC(=C(C=C3O2)Cl)Cl |
| InChIKey | ATBDWDIBGSJAHN-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that 2-Fluoro-3,7,8-trichlorodibenzo-p-dioxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 2-Fluoro-3,7,8-trichlorodibenzo-p-dioxin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-3,7,8-trichlorodibenzo-p-dioxin has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-Fluoro-3,7,8-trichlorodibenzo-p-dioxin is 112317-15-4.
The molecular formula of 2-Fluoro-3,7,8-trichlorodibenzo-p-dioxin is C12H4Cl3FO2.
The molecular weight of 2-Fluoro-3,7,8-trichlorodibenzo-p-dioxin is 303.9261 g/mol.
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