TL;DR: 1,2,3,4,5-Pentachloro-6-(1,2-dichloroethenyl)benzene (CAS 61255-81-0) is a chemical compound with molecular formula C8HCl7 and molecular weight 341.7898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,4,5-pentachloro-6-(1,2-dichloroethenyl)benzene
Also Known As: CIS-HEPTACHLOROSTYRENE, TRANS-HEPTACHLOROSTYRENE, Benzene, ethenyl-, heptachloro deriv.
| Molecular Formula | C8HCl7 |
| Molecular Weight | 341.7898 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 343.78683 Da |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
| SMILES | C(=C(C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | WOYBAAGBIXHIGK-UHFFFAOYSA-N |
The XLogP value of 6.5 indicates that 1,2,3,4,5-Pentachloro-6-(1,2-dichloroethenyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,3,4,5-Pentachloro-6-(1,2-dichloroethenyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,5-Pentachloro-6-(1,2-dichloroethenyl)benzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,2,3,4,5-Pentachloro-6-(1,2-dichloroethenyl)benzene is 61255-81-0.
The molecular formula of 1,2,3,4,5-Pentachloro-6-(1,2-dichloroethenyl)benzene is C8HCl7.
The molecular weight of 1,2,3,4,5-Pentachloro-6-(1,2-dichloroethenyl)benzene is 341.7898 g/mol.
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