TL;DR: Benzonitrile, 4-[[(4-bromophenyl)imino]methyl]- (CAS 147300-16-1) is a chemical compound with molecular formula C14H9BrN2 and molecular weight 283.9949 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-bromophenyl)iminomethyl]benzonitrile
Also Known As: Benzonitrile, 4-[[(4-bromophenyl)imino]methyl]-, p-bromo-N-(p-cyanobenzylidene)aniline, 4-(4-Bromophenyliminomethyl)benzonitrile, 4-{[(4-bromophenyl)imino]methyl}benzonitrile, 4-[(4-bromophenyl)iminomethyl]benzonitrile
| Molecular Formula | C14H9BrN2 |
| Molecular Weight | 283.9949 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 36.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.9949 Da |
| Heavy Atoms | 17 |
| Complexity | 301.0 |
| SMILES | C1=CC(=CC=C1C=NC2=CC=C(C=C2)Br)C#N |
| InChIKey | NTQLGAMAYGGBLZ-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that Benzonitrile, 4-[[(4-bromophenyl)imino]methyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.2 Ų, Benzonitrile, 4-[[(4-bromophenyl)imino]methyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-[[(4-bromophenyl)imino]methyl]- 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 Benzonitrile, 4-[[(4-bromophenyl)imino]methyl]- is 147300-16-1.
The molecular formula of Benzonitrile, 4-[[(4-bromophenyl)imino]methyl]- is C14H9BrN2.
The molecular weight of Benzonitrile, 4-[[(4-bromophenyl)imino]methyl]- is 283.9949 g/mol.
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