2,3,5,6-Tetrafluoro-4-(2-nitrophenoxy)benzonitrile
TL;DR: 2,3,5,6-Tetrafluoro-4-(2-nitrophenoxy)benzonitrile (CAS 796879-94-2) is a chemical compound with molecular formula C13H4F4N2O3 and molecular weight 312.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6-tetrafluoro-4-(2-nitrophenoxy)benzonitrile
Also Known As: 2,3,5,6-tetrafluoro-4-(2-nitrophenoxy)benzonitrile
| Molecular Formula | C13H4F4N2O3 |
|---|---|
| Molecular Weight | 312.02 g/mol |
| LogP | 3.81518 |
| Topological Polar Surface Area | 76.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.0158 |
| Heavy Atoms | 22 |
| Complexity | 788.6581 |
Chemical Identifiers
| CAS Number | 796879-94-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])OC2=C(C(=C(C(=C2F)F)C#N)F)F |
Product Overview
2,3,5,6-Tetrafluoro-4-(2-nitrophenoxy)benzonitrile (CAS 796879-94-2), with molecular formula C13H4F4N2O3 and molecular weight 312.02 g/mol. IUPAC: 2,3,5,6-tetrafluoro-4-(2-nitrophenoxy)benzonitrile.
Chemical Property Profile of 2,3,5,6-Tetrafluoro-4-(2-nitrophenoxy)benzonitrile
Property Insights of 2,3,5,6-Tetrafluoro-4-(2-nitrophenoxy)benzonitrile
The XLogP value of 3.81518 indicates that 2,3,5,6-Tetrafluoro-4-(2-nitrophenoxy)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,5,6-Tetrafluoro-4-(2-nitrophenoxy)benzonitrile. Following Lipinski's Rule of Five, 2,3,5,6-Tetrafluoro-4-(2-nitrophenoxy)benzonitrile 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 2,3,5,6-Tetrafluoro-4-(2-nitrophenoxy)benzonitrile?
The CAS number of 2,3,5,6-Tetrafluoro-4-(2-nitrophenoxy)benzonitrile is 796879-94-2.
What is the molecular formula of 2,3,5,6-Tetrafluoro-4-(2-nitrophenoxy)benzonitrile?
The molecular formula of 2,3,5,6-Tetrafluoro-4-(2-nitrophenoxy)benzonitrile is C13H4F4N2O3.
What is the molecular weight of 2,3,5,6-Tetrafluoro-4-(2-nitrophenoxy)benzonitrile?
The molecular weight of 2,3,5,6-Tetrafluoro-4-(2-nitrophenoxy)benzonitrile is 312.02 g/mol.
Where can I buy 2,3,5,6-Tetrafluoro-4-(2-nitrophenoxy)benzonitrile?
You can request a quote for 2,3,5,6-Tetrafluoro-4-(2-nitrophenoxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5,6-Tetrafluoro-4-(2-nitrophenoxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5,6-Tetrafluoro-4-(2-nitrophenoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.