3-(3-Chloro-4-fluorophenoxy)-5-nitroaniline
TL;DR: 3-(3-Chloro-4-fluorophenoxy)-5-nitroaniline (CAS 946680-96-2) is a chemical compound with molecular formula C12H8ClFN2O3 and molecular weight 282.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-4-fluorophenoxy)-5-nitroaniline
Also Known As: 3-(3-chloro-4-fluorophenoxy)-5-nitroaniline, ZERO/006148, 3-[(3-Methylbenzyl)oxy]piperidine, 3-(3-chloro-4-fluoro-phenoxy)-5-nitro-aniline, 5-(3-chloro-4-fluorophenoxy)-3-nitrophenylamine
| Molecular Formula | C12H8ClFN2O3 |
|---|---|
| Molecular Weight | 282.02 g/mol |
| LogP | 3.7618 |
| Topological Polar Surface Area | 78.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.02075 |
| Heavy Atoms | 19 |
| Complexity | 648.86676 |
Chemical Identifiers
| CAS Number | 946680-96-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1OC2=CC(=CC(=C2)[N+](=O)[O-])N)Cl)F |
Product Overview
3-(3-Chloro-4-fluorophenoxy)-5-nitroaniline (CAS 946680-96-2), with molecular formula C12H8ClFN2O3 and molecular weight 282.02 g/mol. IUPAC: 3-(3-chloro-4-fluorophenoxy)-5-nitroaniline.
Chemical Property Profile of 3-(3-Chloro-4-fluorophenoxy)-5-nitroaniline
Property Insights of 3-(3-Chloro-4-fluorophenoxy)-5-nitroaniline
The XLogP value of 3.7618 indicates that 3-(3-Chloro-4-fluorophenoxy)-5-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Chloro-4-fluorophenoxy)-5-nitroaniline. Following Lipinski's Rule of Five, 3-(3-Chloro-4-fluorophenoxy)-5-nitroaniline has 1 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 3-(3-Chloro-4-fluorophenoxy)-5-nitroaniline?
The CAS number of 3-(3-Chloro-4-fluorophenoxy)-5-nitroaniline is 946680-96-2.
What is the molecular formula of 3-(3-Chloro-4-fluorophenoxy)-5-nitroaniline?
The molecular formula of 3-(3-Chloro-4-fluorophenoxy)-5-nitroaniline is C12H8ClFN2O3.
What is the molecular weight of 3-(3-Chloro-4-fluorophenoxy)-5-nitroaniline?
The molecular weight of 3-(3-Chloro-4-fluorophenoxy)-5-nitroaniline is 282.02 g/mol.
Where can I buy 3-(3-Chloro-4-fluorophenoxy)-5-nitroaniline?
You can request a quote for 3-(3-Chloro-4-fluorophenoxy)-5-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Chloro-4-fluorophenoxy)-5-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chloro-4-fluorophenoxy)-5-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.