TL;DR: Phosphoric acid, 2-chloro-1-(2,4,5-trichlorophenyl)ethenyl dimethyl ester (CAS 961-11-5) is a chemical compound with molecular formula C10H9Cl4O4P and molecular weight 363.89926 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate
Also Known As: Tetrachlorvinphos, Tetrachlorovinphos, Gardona, Dietreen, Stirofus
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H9Cl4O4P |
| Molecular Weight | 363.89926 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.8963 Da |
| Heavy Atoms | 19 |
| Complexity | 371.0 |
| SMILES | COP(=O)(OC)OC(=CCl)C1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | UBCKGWBNUIFUST-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that Phosphoric acid, 2-chloro-1-(2,4,5-trichlorophenyl)ethenyl dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Phosphoric acid, 2-chloro-1-(2,4,5-trichlorophenyl)ethenyl dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, 2-chloro-1-(2,4,5-trichlorophenyl)ethenyl dimethyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phosphoric acid, 2-chloro-1-(2,4,5-trichlorophenyl)ethenyl dimethyl ester is 961-11-5.
The molecular formula of Phosphoric acid, 2-chloro-1-(2,4,5-trichlorophenyl)ethenyl dimethyl ester is C10H9Cl4O4P.
The molecular weight of Phosphoric acid, 2-chloro-1-(2,4,5-trichlorophenyl)ethenyl dimethyl ester is 363.89926 g/mol.
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