TL;DR: 1,2,3,6-Tetrachlorodibenzofuran (CAS 83704-21-6) is a chemical compound with molecular formula C12H4Cl4O and molecular weight 303.9016 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,6-tetrachlorodibenzofuran
Also Known As: 1,2,3,6-TETRACHLORODIBENZOFURAN, PCDF 50, Dibenzofuran, 1,2,3,6-tetrachloro, 1,2,3,6-tetrachlorodibenzo[b,d]furan, Dibenzofuran,1,2,3,6-tetrachloro-
| Molecular Formula | C12H4Cl4O |
| Molecular Weight | 303.9016 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 305.89868 Da |
| Heavy Atoms | 17 |
| Complexity | 300.0 |
| SMILES | C1=CC2=C(C(=C1)Cl)OC3=CC(=C(C(=C23)Cl)Cl)Cl |
| InChIKey | BBAXFLIBRPXRBP-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that 1,2,3,6-Tetrachlorodibenzofuran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.1 Ų, 1,2,3,6-Tetrachlorodibenzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,6-Tetrachlorodibenzofuran has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,2,3,6-Tetrachlorodibenzofuran is 83704-21-6.
The molecular formula of 1,2,3,6-Tetrachlorodibenzofuran is C12H4Cl4O.
The molecular weight of 1,2,3,6-Tetrachlorodibenzofuran is 303.9016 g/mol.
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