TL;DR: 1H-1,2,3-Triazole, 4-((pentachlorophenoxy)methyl)-4-phenyl- (CAS 135034-76-3) is a chemical compound with molecular formula C15H8Cl5N3O and molecular weight 420.911 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(2,3,4,5,6-pentachlorophenoxy)methyl]-1-phenyltriazole
Also Known As: 4-((Pentachlorophenoxy)methyl)-4-phenyl-1H-1,2,3-triazole, 1H-1,2,3-Triazole, 4-((pentachlorophenoxy)methyl)-4-phenyl-, 4-[(2,3,4,5,6-pentachlorophenoxy)methyl]-1-phenyltriazole, 4-[(Pentachlorophenoxy)methyl]-1-phenyl-1H-1,2,3-triazole, 5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-5-phenyl-1,4-dihydr
| Molecular Formula | C15H8Cl5N3O |
| Molecular Weight | 420.911 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 39.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.911 Da |
| Heavy Atoms | 24 |
| Complexity | 399.0 |
| SMILES | C1=CC=C(C=C1)N2C=C(N=N2)COC3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl |
| InChIKey | SYRDNZBBURYTSQ-UHFFFAOYSA-N |
The XLogP value of 6.0 indicates that 1H-1,2,3-Triazole, 4-((pentachlorophenoxy)methyl)-4-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.9 Ų, 1H-1,2,3-Triazole, 4-((pentachlorophenoxy)methyl)-4-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,3-Triazole, 4-((pentachlorophenoxy)methyl)-4-phenyl- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1H-1,2,3-Triazole, 4-((pentachlorophenoxy)methyl)-4-phenyl- is 135034-76-3.
The molecular formula of 1H-1,2,3-Triazole, 4-((pentachlorophenoxy)methyl)-4-phenyl- is C15H8Cl5N3O.
The molecular weight of 1H-1,2,3-Triazole, 4-((pentachlorophenoxy)methyl)-4-phenyl- is 420.911 g/mol.
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