2-Chloro-3-ethoxy-6-nitrobenzonitrile
TL;DR: 2-Chloro-3-ethoxy-6-nitrobenzonitrile (CAS 1026566-04-0) is a chemical compound with molecular formula C9H7ClN2O3 and molecular weight 226.01453 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-3-ethoxy-6-nitrobenzonitrile
Also Known As: 2-chloro-3-ethoxy-6-nitrobenzonitrile, 2-chloro-3-ethoxy-6-nitro-benzonitrile
Technical Specifications
| Molecular Formula | C9H7ClN2O3 |
| Molecular Weight | 226.01453 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 78.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.01453 Da |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
| SMILES | CCOC1=C(C(=C(C=C1)[N+](=O)[O-])C#N)Cl |
| InChIKey | HXHPUYJDSCJEMR-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-3-ethoxy-6-nitrobenzonitrile
Property Insights of 2-Chloro-3-ethoxy-6-nitrobenzonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-ethoxy-6-nitrobenzonitrile. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-3-ethoxy-6-nitrobenzonitrile. Following Lipinski's Rule of Five, 2-Chloro-3-ethoxy-6-nitrobenzonitrile 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
What is the CAS number of 2-Chloro-3-ethoxy-6-nitrobenzonitrile?
The CAS number of 2-Chloro-3-ethoxy-6-nitrobenzonitrile is 1026566-04-0.
What is the molecular formula of 2-Chloro-3-ethoxy-6-nitrobenzonitrile?
The molecular formula of 2-Chloro-3-ethoxy-6-nitrobenzonitrile is C9H7ClN2O3.
What is the molecular weight of 2-Chloro-3-ethoxy-6-nitrobenzonitrile?
The molecular weight of 2-Chloro-3-ethoxy-6-nitrobenzonitrile is 226.01453 g/mol.
Where can I buy 2-Chloro-3-ethoxy-6-nitrobenzonitrile?
You can request a quote for 2-Chloro-3-ethoxy-6-nitrobenzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-3-ethoxy-6-nitrobenzonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-3-ethoxy-6-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.