3-(2,4-Difluorophenoxy)-4-nitroaniline
TL;DR: 3-(2,4-Difluorophenoxy)-4-nitroaniline (CAS 116687-57-1) is a chemical compound with molecular formula C12H8F2N2O3 and molecular weight 266.0503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2,4-difluorophenoxy)-4-nitroaniline
Also Known As: 3-(2,4-Difluorophenoxy)-4-nitroaniline, 3-(2,4-difluorophenoxy)-4-nitro-aniline
Technical Specifications
| Molecular Formula | C12H8F2N2O3 |
| Molecular Weight | 266.0503 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.0503 Da |
| Heavy Atoms | 19 |
| Complexity | 327.0 |
| SMILES | C1=CC(=C(C=C1N)OC2=C(C=C(C=C2)F)F)[N+](=O)[O-] |
| InChIKey | GXIRCJJBQBMKPE-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2,4-Difluorophenoxy)-4-nitroaniline
Property Insights of 3-(2,4-Difluorophenoxy)-4-nitroaniline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,4-Difluorophenoxy)-4-nitroaniline. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,4-Difluorophenoxy)-4-nitroaniline. Following Lipinski's Rule of Five, 3-(2,4-Difluorophenoxy)-4-nitroaniline has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2,4-Difluorophenoxy)-4-nitroaniline?
The CAS number of 3-(2,4-Difluorophenoxy)-4-nitroaniline is 116687-57-1.
What is the molecular formula of 3-(2,4-Difluorophenoxy)-4-nitroaniline?
The molecular formula of 3-(2,4-Difluorophenoxy)-4-nitroaniline is C12H8F2N2O3.
What is the molecular weight of 3-(2,4-Difluorophenoxy)-4-nitroaniline?
The molecular weight of 3-(2,4-Difluorophenoxy)-4-nitroaniline is 266.0503 g/mol.
Where can I buy 3-(2,4-Difluorophenoxy)-4-nitroaniline?
You can request a quote for 3-(2,4-Difluorophenoxy)-4-nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2,4-Difluorophenoxy)-4-nitroaniline?
Yes, CoreyChem provides custom synthesis services for 3-(2,4-Difluorophenoxy)-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.