2-(3-Cyanophenoxy)-5-nitrobenzonitrile
TL;DR: 2-(3-Cyanophenoxy)-5-nitrobenzonitrile (CAS 1030696-21-9) is a chemical compound with molecular formula C14H7N3O3 and molecular weight 265.04874 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-cyanophenoxy)-5-nitrobenzonitrile
Also Known As: 2-(3-cyanophenoxy)-5-nitrobenzonitrile
Technical Specifications
| Molecular Formula | C14H7N3O3 |
| Molecular Weight | 265.04874 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.04874 Da |
| Heavy Atoms | 20 |
| Complexity | 455.0 |
| SMILES | C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C#N |
| InChIKey | JDDDVZTVNIJROU-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-Cyanophenoxy)-5-nitrobenzonitrile
Property Insights of 2-(3-Cyanophenoxy)-5-nitrobenzonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Cyanophenoxy)-5-nitrobenzonitrile. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Cyanophenoxy)-5-nitrobenzonitrile. Following Lipinski's Rule of Five, 2-(3-Cyanophenoxy)-5-nitrobenzonitrile has 0 hydrogen bond donor(s) and 5 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-(3-Cyanophenoxy)-5-nitrobenzonitrile?
The CAS number of 2-(3-Cyanophenoxy)-5-nitrobenzonitrile is 1030696-21-9.
What is the molecular formula of 2-(3-Cyanophenoxy)-5-nitrobenzonitrile?
The molecular formula of 2-(3-Cyanophenoxy)-5-nitrobenzonitrile is C14H7N3O3.
What is the molecular weight of 2-(3-Cyanophenoxy)-5-nitrobenzonitrile?
The molecular weight of 2-(3-Cyanophenoxy)-5-nitrobenzonitrile is 265.04874 g/mol.
Where can I buy 2-(3-Cyanophenoxy)-5-nitrobenzonitrile?
You can request a quote for 2-(3-Cyanophenoxy)-5-nitrobenzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Cyanophenoxy)-5-nitrobenzonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(3-Cyanophenoxy)-5-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.