2-(3-Formylphenoxy)-5-nitrobenzonitrile
TL;DR: 2-(3-Formylphenoxy)-5-nitrobenzonitrile (CAS 1287011-17-9) is a chemical compound with molecular formula C14H8N2O4 and molecular weight 268.0484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-formylphenoxy)-5-nitrobenzonitrile
Also Known As: 2-(3-formylphenoxy)-5-nitrobenzonitrile, starbld0021734, 2-(3-formylphenoxy)-5-nitro-benzonitrile
Technical Specifications
| Molecular Formula | C14H8N2O4 |
| Molecular Weight | 268.0484 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 95.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.0484 Da |
| Heavy Atoms | 20 |
| Complexity | 411.0 |
| SMILES | C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C=O |
| InChIKey | YALPTOBJBTWXOU-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-Formylphenoxy)-5-nitrobenzonitrile
Property Insights of 2-(3-Formylphenoxy)-5-nitrobenzonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Formylphenoxy)-5-nitrobenzonitrile. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Formylphenoxy)-5-nitrobenzonitrile. Following Lipinski's Rule of Five, 2-(3-Formylphenoxy)-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-Formylphenoxy)-5-nitrobenzonitrile?
The CAS number of 2-(3-Formylphenoxy)-5-nitrobenzonitrile is 1287011-17-9.
What is the molecular formula of 2-(3-Formylphenoxy)-5-nitrobenzonitrile?
The molecular formula of 2-(3-Formylphenoxy)-5-nitrobenzonitrile is C14H8N2O4.
What is the molecular weight of 2-(3-Formylphenoxy)-5-nitrobenzonitrile?
The molecular weight of 2-(3-Formylphenoxy)-5-nitrobenzonitrile is 268.0484 g/mol.
Where can I buy 2-(3-Formylphenoxy)-5-nitrobenzonitrile?
You can request a quote for 2-(3-Formylphenoxy)-5-nitrobenzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Formylphenoxy)-5-nitrobenzonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(3-Formylphenoxy)-5-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.