4-(2-Nitrophenoxy)benzonitrile
TL;DR: 4-(2-Nitrophenoxy)benzonitrile (CAS 113344-23-3) is a chemical compound with molecular formula C13H8N2O3 and molecular weight 240.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-nitrophenoxy)benzonitrile
Also Known As: 4-(2-nitrophenoxy)benzonitrile, 2-(4-Cyanophenoxy)-1-nitrobenzene, Benzonitrile, 4-(2-nitrophenoxy)-, 4-(2-nitrophenoxy)benzenecarbonitrile, 5-Bromo-3-hydroxy-1-methyl-1H-pyrazin-2-one hydrogen bromide salt
| Molecular Formula | C13H8N2O3 |
|---|---|
| Molecular Weight | 240.05 g/mol |
| LogP | 3.25878 |
| Topological Polar Surface Area | 76.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.0535 |
| Heavy Atoms | 18 |
| Complexity | 614.87866 |
Chemical Identifiers
| CAS Number | 113344-23-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])OC2=CC=C(C=C2)C#N |
Product Overview
4-(2-Nitrophenoxy)benzonitrile (CAS 113344-23-3), with molecular formula C13H8N2O3 and molecular weight 240.05 g/mol. IUPAC: 4-(2-nitrophenoxy)benzonitrile.
Chemical Property Profile of 4-(2-Nitrophenoxy)benzonitrile
Property Insights of 4-(2-Nitrophenoxy)benzonitrile
The XLogP value of 3.25878 indicates that 4-(2-Nitrophenoxy)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Nitrophenoxy)benzonitrile. Following Lipinski's Rule of Five, 4-(2-Nitrophenoxy)benzonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2-Nitrophenoxy)benzonitrile?
The CAS number of 4-(2-Nitrophenoxy)benzonitrile is 113344-23-3.
What is the molecular formula of 4-(2-Nitrophenoxy)benzonitrile?
The molecular formula of 4-(2-Nitrophenoxy)benzonitrile is C13H8N2O3.
What is the molecular weight of 4-(2-Nitrophenoxy)benzonitrile?
The molecular weight of 4-(2-Nitrophenoxy)benzonitrile is 240.05 g/mol.
Where can I buy 4-(2-Nitrophenoxy)benzonitrile?
You can request a quote for 4-(2-Nitrophenoxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Nitrophenoxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Nitrophenoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.