2-(4-Methoxy-2-nitrophenoxy)acetonitrile
TL;DR: 2-(4-Methoxy-2-nitrophenoxy)acetonitrile (CAS 1002464-45-0) is a chemical compound with molecular formula C9H8N2O4 and molecular weight 208.0484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methoxy-2-nitrophenoxy)acetonitrile
Also Known As: 2-(4-methoxy-2-nitrophenoxy)acetonitrile
Technical Specifications
| Molecular Formula | C9H8N2O4 |
| Molecular Weight | 208.0484 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 88.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.0484 Da |
| Heavy Atoms | 15 |
| Complexity | 267.0 |
| SMILES | COC1=CC(=C(C=C1)OCC#N)[N+](=O)[O-] |
| InChIKey | VCBFRDYUNGHIJJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Methoxy-2-nitrophenoxy)acetonitrile
Property Insights of 2-(4-Methoxy-2-nitrophenoxy)acetonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methoxy-2-nitrophenoxy)acetonitrile. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methoxy-2-nitrophenoxy)acetonitrile. Following Lipinski's Rule of Five, 2-(4-Methoxy-2-nitrophenoxy)acetonitrile 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-(4-Methoxy-2-nitrophenoxy)acetonitrile?
The CAS number of 2-(4-Methoxy-2-nitrophenoxy)acetonitrile is 1002464-45-0.
What is the molecular formula of 2-(4-Methoxy-2-nitrophenoxy)acetonitrile?
The molecular formula of 2-(4-Methoxy-2-nitrophenoxy)acetonitrile is C9H8N2O4.
What is the molecular weight of 2-(4-Methoxy-2-nitrophenoxy)acetonitrile?
The molecular weight of 2-(4-Methoxy-2-nitrophenoxy)acetonitrile is 208.0484 g/mol.
Where can I buy 2-(4-Methoxy-2-nitrophenoxy)acetonitrile?
You can request a quote for 2-(4-Methoxy-2-nitrophenoxy)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Methoxy-2-nitrophenoxy)acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(4-Methoxy-2-nitrophenoxy)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.