TL;DR: 2,2',3,4,5,6,6'-Heptabromobiphenyl (CAS 119264-57-2) is a chemical compound with molecular formula C12H3Br7 and molecular weight 699.45184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,4,5-pentabromo-6-(2,6-dibromophenyl)benzene
Also Known As: 2,2',3,4,5,6,6'-Heptabromobiphenyl, PBB 186, 2,2',3,4,5,6,6'-Heptabromo-1,1'-biphenyl, 1,1'-Biphenyl, 2,2',3,4,5,6,6'-heptabromo-, 1,2,3,4,5-pentabromo-6-(2,6-dibromophenyl)benzene
| Molecular Formula | C12H3Br7 |
| Molecular Weight | 699.45184 g/mol |
| XLogP | 8.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 699.45184 Da |
| Heavy Atoms | 19 |
| Complexity | 286.0 |
| SMILES | C1=CC(=C(C(=C1)Br)C2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br |
| InChIKey | FDSVFTKTWCIQCW-UHFFFAOYSA-N |
The XLogP value of 8.4 indicates that 2,2',3,4,5,6,6'-Heptabromobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,2',3,4,5,6,6'-Heptabromobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2',3,4,5,6,6'-Heptabromobiphenyl has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,2',3,4,5,6,6'-Heptabromobiphenyl is 119264-57-2.
The molecular formula of 2,2',3,4,5,6,6'-Heptabromobiphenyl is C12H3Br7.
The molecular weight of 2,2',3,4,5,6,6'-Heptabromobiphenyl is 699.45184 g/mol.
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