TL;DR: Dibenzo(b,e)(1,4)dioxin, 2,3,7-trichloro-8-(trifluoromethyl)- (CAS 112317-16-5) is a chemical compound with molecular formula C13H4Cl3F3O2 and molecular weight 353.92288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,7-trichloro-8-(trifluoromethyl)dibenzo-p-dioxin
Also Known As: 2-(Trifluoromethyl)-3,7,8-trichlorodibenzo-p-dioxin, 8-(Trifluoromethyl)-2,3,7-trichloro-dibenzo-p-dioxin, 2,3,7-trichloro-8-(trifluoromethyl)oxanthrene, 2-trifluoromethyl-3,7,8-trichlorodibenzodioxin, Dibenzo(b,e)(1,4)dioxin, 2,3,7-trichloro-8-(trifluoromethyl)-
| Molecular Formula | C13H4Cl3F3O2 |
| Molecular Weight | 353.92288 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 353.92288 Da |
| Heavy Atoms | 21 |
| Complexity | 395.0 |
| SMILES | C1=C(C(=CC2=C1OC3=CC(=C(C=C3O2)Cl)Cl)Cl)C(F)(F)F |
| InChIKey | JSLJBFADCBCYJN-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that Dibenzo(b,e)(1,4)dioxin, 2,3,7-trichloro-8-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Dibenzo(b,e)(1,4)dioxin, 2,3,7-trichloro-8-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo(b,e)(1,4)dioxin, 2,3,7-trichloro-8-(trifluoromethyl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Dibenzo(b,e)(1,4)dioxin, 2,3,7-trichloro-8-(trifluoromethyl)- is 112317-16-5.
The molecular formula of Dibenzo(b,e)(1,4)dioxin, 2,3,7-trichloro-8-(trifluoromethyl)- is C13H4Cl3F3O2.
The molecular weight of Dibenzo(b,e)(1,4)dioxin, 2,3,7-trichloro-8-(trifluoromethyl)- is 353.92288 g/mol.
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