4-硝基苯氧基乙腈
TL;DR: 4-硝基苯氧基乙腈 (CAS 306976-40-9) is a chemical compound with molecular formula C8H6N2O3 and molecular weight 178.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硝基苯氧基乙腈
2-(4-nitrophenoxy)acetonitrile
Also Known As: 4-Nitrophenoxyacetonitrile, 2-(4-nitrophenoxy)acetonitrile, (4-nitrophenoxy)acetonitrile, p-nitrophenoxyacetonitrile, O-cyanomethyl-4-nitrophenol
| Molecular Formula | C8H6N2O3 |
|---|---|
| Molecular Weight | 178.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.03784 |
| Heavy Atoms | 13 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 306976-40-9 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OCC#N |
| InChIKey | HFRYXZNUOFIXGS-UHFFFAOYSA-N |
Product Overview
4-硝基苯氧基乙腈 (CAS 306976-40-9), with molecular formula C8H6N2O3 and molecular weight 178.04 g/mol. IUPAC: 2-(4-nitrophenoxy)acetonitrile.
Chemical Property Profile of 4-硝基苯氧基乙腈
Property Insights of 4-硝基苯氧基乙腈
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硝基苯氧基乙腈. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-硝基苯氧基乙腈. Following Lipinski's Rule of Five, 4-硝基苯氧基乙腈 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
Frequently Asked Questions
What is the CAS number of 4-硝基苯氧基乙腈?
The CAS number of 4-硝基苯氧基乙腈 is 306976-40-9.
What is the molecular formula of 4-硝基苯氧基乙腈?
The molecular formula of 4-硝基苯氧基乙腈 is C8H6N2O3.
What is the molecular weight of 4-硝基苯氧基乙腈?
The molecular weight of 4-硝基苯氧基乙腈 is 178.04 g/mol.
Where can I buy 4-硝基苯氧基乙腈?
You can request a quote for 4-硝基苯氧基乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基苯氧基乙腈?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基苯氧基乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.