TL;DR: Dibenzofuran, 1,6-dibromo-2,3,4,7,8,9-hexachloro- (CAS 131167-06-1) is a chemical compound with molecular formula C12Br2Cl6O and molecular weight 527.6447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,6-dibromo-2,3,4,7,8,9-hexachlorodibenzofuran
Also Known As: Dibenzofuran, 1,6-dibromo-2,3,4,7,8,9-hexachloro-, 1,6-Dibromo-2,3,4,7,8,9-hexachlorodibenzofuran, 1,6-Dibromo-2,3,4,7,8,9-hexachlorodibenzo[b,d]furan
| Molecular Formula | C12Br2Cl6O |
| Molecular Weight | 527.6447 g/mol |
| XLogP | 8.8 |
| Topological Polar Surface Area (TPSA) | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 527.6447 Da |
| Heavy Atoms | 21 |
| Complexity | 417.0 |
| SMILES | C12=C(C(=C(C(=C1Cl)Cl)Cl)Br)OC3=C2C(=C(C(=C3Cl)Cl)Cl)Br |
| InChIKey | HJTJOYRVLAMJCH-UHFFFAOYSA-N |
The XLogP value of 8.8 indicates that Dibenzofuran, 1,6-dibromo-2,3,4,7,8,9-hexachloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.1 Ų, Dibenzofuran, 1,6-dibromo-2,3,4,7,8,9-hexachloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzofuran, 1,6-dibromo-2,3,4,7,8,9-hexachloro- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Dibenzofuran, 1,6-dibromo-2,3,4,7,8,9-hexachloro- is 131167-06-1.
The molecular formula of Dibenzofuran, 1,6-dibromo-2,3,4,7,8,9-hexachloro- is C12Br2Cl6O.
The molecular weight of Dibenzofuran, 1,6-dibromo-2,3,4,7,8,9-hexachloro- is 527.6447 g/mol.
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