TL;DR: 3,4',5-Trichlorobiphenyl (CAS 38444-88-1) is a chemical compound with molecular formula C12H7Cl3 and molecular weight 255.96133 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dichloro-5-(4-chlorophenyl)benzene
Also Known As: 3,4',5-TRICHLOROBIPHENYL, PCB 39, 3,4',5-Trichloro-1,1'-biphenyl, 3,4,5-Trichlorobiphenyl, Pcb No. 39
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H7Cl3 |
| Molecular Weight | 255.96133 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.96133 Da |
| Heavy Atoms | 15 |
| Complexity | 189.0 |
| SMILES | C1=CC(=CC=C1C2=CC(=CC(=C2)Cl)Cl)Cl |
| InChIKey | SYSBNFJJSJLZMM-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that 3,4',5-Trichlorobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,4',5-Trichlorobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4',5-Trichlorobiphenyl has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3,4',5-Trichlorobiphenyl is 38444-88-1.
The molecular formula of 3,4',5-Trichlorobiphenyl is C12H7Cl3.
The molecular weight of 3,4',5-Trichlorobiphenyl is 255.96133 g/mol.
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