TL;DR: 1,2,3,4,6,7-Hexachloronaphthalene (CAS 103426-96-6) is a chemical compound with molecular formula C10H2Cl6 and molecular weight 331.82877 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,4,6,7-hexachloronaphthalene
Also Known As: 1,2,3,4,6,7-Hexachloronaphthalene, PCN 66, starbld0004440, Naphthalene, 1,2,3,4,6,7-hexachloro-, 1,2,3,4,6,7-HxCN
| Molecular Formula | C10H2Cl6 |
| Molecular Weight | 331.82877 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 333.8258 Da |
| Heavy Atoms | 16 |
| Complexity | 234.0 |
| SMILES | C1=C2C(=CC(=C1Cl)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl |
| InChIKey | ZRNSVEOEIWQEMU-UHFFFAOYSA-N |
The XLogP value of 7.0 indicates that 1,2,3,4,6,7-Hexachloronaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,3,4,6,7-Hexachloronaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,6,7-Hexachloronaphthalene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,2,3,4,6,7-Hexachloronaphthalene is 103426-96-6.
The molecular formula of 1,2,3,4,6,7-Hexachloronaphthalene is C10H2Cl6.
The molecular weight of 1,2,3,4,6,7-Hexachloronaphthalene is 331.82877 g/mol.
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