4-Ethoxy-2-nitrophenyl isocyanate
TL;DR: 4-Ethoxy-2-nitrophenyl isocyanate (CAS 108128-81-0) 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.
4-ethoxy-1-isocyanato-2-nitrobenzene
Also Known As: 4-Ethoxy-2-nitrophenyl isocyanate, 4-ethoxy-1-isocyanato-2-nitrobenzene, 4-ethoxy-1-isocyanato-2-nitro-benzene, Benzene,4-ethoxy-1-isocyanato-2-nitro-, 4-Ethoxy-2-nitrophenyl isocyanate, 97%
Technical Specifications
| Molecular Formula | C9H8N2O4 |
| Molecular Weight | 208.0484 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.0484 Da |
| Heavy Atoms | 15 |
| Complexity | 270.0 |
| SMILES | CCOC1=CC(=C(C=C1)N=C=O)[N+](=O)[O-] |
| InChIKey | ANUZRQJHDHUGTM-UHFFFAOYSA-N |
Chemical Property Profile of 4-Ethoxy-2-nitrophenyl isocyanate
Property Insights of 4-Ethoxy-2-nitrophenyl isocyanate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethoxy-2-nitrophenyl isocyanate. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ethoxy-2-nitrophenyl isocyanate. Following Lipinski's Rule of Five, 4-Ethoxy-2-nitrophenyl isocyanate 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 4-Ethoxy-2-nitrophenyl isocyanate?
The CAS number of 4-Ethoxy-2-nitrophenyl isocyanate is 108128-81-0.
What is the molecular formula of 4-Ethoxy-2-nitrophenyl isocyanate?
The molecular formula of 4-Ethoxy-2-nitrophenyl isocyanate is C9H8N2O4.
What is the molecular weight of 4-Ethoxy-2-nitrophenyl isocyanate?
The molecular weight of 4-Ethoxy-2-nitrophenyl isocyanate is 208.0484 g/mol.
Where can I buy 4-Ethoxy-2-nitrophenyl isocyanate?
You can request a quote for 4-Ethoxy-2-nitrophenyl isocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Ethoxy-2-nitrophenyl isocyanate?
Yes, CoreyChem provides custom synthesis services for 4-Ethoxy-2-nitrophenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.