4-(4-硝基苯氧基)苯甲腈
TL;DR: 4-(4-硝基苯氧基)苯甲腈 (CAS 206184-67-0) 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-(4-硝基苯氧基)苯甲腈
4-(4-nitrophenoxy)benzonitrile
Also Known As: 4-(4-Nitrophenoxy)benzonitrile, Benzonitrile, 4-(4-nitrophenoxy)-, 4-(4-nitro-phenoxy)-benzonitrile, 4'-Cyano-4-nitrodiphenylether, 4-(4'-nitrophenoxy)benzonitrile
| Molecular Formula | C13H8N2O3 |
|---|---|
| Molecular Weight | 240.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.0535 |
| Heavy Atoms | 18 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 206184-67-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | YUNRKJHCHMIMLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-硝基苯氧基)苯甲腈 (CAS 206184-67-0), with molecular formula C13H8N2O3 and molecular weight 240.05 g/mol. IUPAC: 4-(4-nitrophenoxy)benzonitrile.
Chemical Property Profile of 4-(4-硝基苯氧基)苯甲腈
Property Insights of 4-(4-硝基苯氧基)苯甲腈
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-硝基苯氧基)苯甲腈. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-硝基苯氧基)苯甲腈. Following Lipinski's Rule of Five, 4-(4-硝基苯氧基)苯甲腈 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-(4-硝基苯氧基)苯甲腈?
The CAS number of 4-(4-硝基苯氧基)苯甲腈 is 206184-67-0.
What is the molecular formula of 4-(4-硝基苯氧基)苯甲腈?
The molecular formula of 4-(4-硝基苯氧基)苯甲腈 is C13H8N2O3.
What is the molecular weight of 4-(4-硝基苯氧基)苯甲腈?
The molecular weight of 4-(4-硝基苯氧基)苯甲腈 is 240.05 g/mol.
Where can I buy 4-(4-硝基苯氧基)苯甲腈?
You can request a quote for 4-(4-硝基苯氧基)苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-硝基苯氧基)苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-硝基苯氧基)苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.