TL;DR: 1,4-Dichloro-2-(trichloromethyl)benzene (CAS 10541-71-6) is a chemical compound with molecular formula C7H3Cl5 and molecular weight 261.86774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-dichloro-2-(trichloromethyl)benzene
Also Known As: 1,4-Dichloro-2-(trichloromethyl)benzene, Ixazomib Impurity 19, KST-1A9758, 1,4-Dichlor-2-trichlormethyl-benzol, Benzene,1,4-dichloro-2-(trichloromethyl)-
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C7H3Cl5 |
| Molecular Weight | 261.86774 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 263.86478 Da |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
| SMILES | C1=CC(=C(C=C1Cl)C(Cl)(Cl)Cl)Cl |
| InChIKey | GSRCWOBJTVTICJ-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 1,4-Dichloro-2-(trichloromethyl)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, 1,4-Dichloro-2-(trichloromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dichloro-2-(trichloromethyl)benzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,4-Dichloro-2-(trichloromethyl)benzene is 10541-71-6.
The molecular formula of 1,4-Dichloro-2-(trichloromethyl)benzene is C7H3Cl5.
The molecular weight of 1,4-Dichloro-2-(trichloromethyl)benzene is 261.86774 g/mol.
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