2-(4-Bromophenyl)benzonitrile
TL;DR: 2-(4-Bromophenyl)benzonitrile (CAS 168072-17-1) is a chemical compound with molecular formula C13H8BrN and molecular weight 256.984 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-bromophenyl)benzonitrile
Also Known As: 2-(4-bromophenyl)benzonitrile, Valsartan Impurity 1, 4-BROMO-2'-CYANOBIPHENYL, 4-Bromo-2-cyanobiphenyl, 4'-bromobiphenyl-2-carbonitrile
Technical Specifications
| Molecular Formula | C13H8BrN |
| Molecular Weight | 256.984 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.984 Da |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
| SMILES | C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)Br |
| InChIKey | ZPMUHWJOMVSGTR-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Bromophenyl)benzonitrile
Property Insights of 2-(4-Bromophenyl)benzonitrile
The XLogP value of 4.3 indicates that 2-(4-Bromophenyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2-(4-Bromophenyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)benzonitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(4-Bromophenyl)benzonitrile?
The CAS number of 2-(4-Bromophenyl)benzonitrile is 168072-17-1.
What is the molecular formula of 2-(4-Bromophenyl)benzonitrile?
The molecular formula of 2-(4-Bromophenyl)benzonitrile is C13H8BrN.
What is the molecular weight of 2-(4-Bromophenyl)benzonitrile?
The molecular weight of 2-(4-Bromophenyl)benzonitrile is 256.984 g/mol.
Where can I buy 2-(4-Bromophenyl)benzonitrile?
You can request a quote for 2-(4-Bromophenyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Bromophenyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(4-Bromophenyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.