TL;DR: Zinc bromide 4-cyanobenzen-1-ide (1/1/1) (CAS 131379-14-1) is a chemical compound with molecular formula C7H4BrNZn and molecular weight 244.88185 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzonitrile;bromozinc(1+)
Also Known As: 4-CYANOPHENYLZINC BROMIDE, benzonitrile;bromozinc(1+), zinc,benzonitrile,bromide, Zinc,bromo(4-cyanophenyl)-, Zinc,bromo(4-cyanophenyl)
| Molecular Formula | C7H4BrNZn |
| Molecular Weight | 244.88185 g/mol |
| XLogP | 2.20157 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 244.88185 Da |
| Heavy Atoms | 10 |
| Complexity | 203.0 |
| SMILES | C1=CC(=CC=[C-]1)C#N.[Zn+]Br |
| InChIKey | HEOMKTNNZDZMJZ-UHFFFAOYSA-M |
The XLogP value of 2.20157 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Zinc bromide 4-cyanobenzen-1-ide (1/1/1). With a topological polar surface area (TPSA) of 23.8 Ų, Zinc bromide 4-cyanobenzen-1-ide (1/1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Zinc bromide 4-cyanobenzen-1-ide (1/1/1) has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Zinc bromide 4-cyanobenzen-1-ide (1/1/1) is 131379-14-1.
The molecular formula of Zinc bromide 4-cyanobenzen-1-ide (1/1/1) is C7H4BrNZn.
The molecular weight of Zinc bromide 4-cyanobenzen-1-ide (1/1/1) is 244.88185 g/mol.
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