2-Fluoro-n-(2-nitrophenyl)aniline
TL;DR: 2-Fluoro-n-(2-nitrophenyl)aniline (CAS 29113-34-6) is a chemical compound with molecular formula C12H9FN2O2 and molecular weight 232.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-fluorophenyl)-2-nitroaniline
Also Known As: 2-fluoro-n-(2-nitrophenyl)aniline, 2-Fluoro-2'-nitrodiphenylamine, N-(2-fluorophenyl)-2-nitroaniline, N-(2-nitrophenyl)-2-fluoroaniline, n-2-nitrophenyl-2-fluoroaniline
| Molecular Formula | C12H9FN2O2 |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.0648 |
| Heavy Atoms | 17 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 29113-34-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC2=CC=CC=C2F)[N+](=O)[O-] |
| InChIKey | AXWDMVVFIGPIKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Fluoro-n-(2-nitrophenyl)aniline (CAS 29113-34-6), with molecular formula C12H9FN2O2 and molecular weight 232.06 g/mol. IUPAC: N-(2-fluorophenyl)-2-nitroaniline.
Chemical Property Profile of 2-Fluoro-n-(2-nitrophenyl)aniline
Property Insights of 2-Fluoro-n-(2-nitrophenyl)aniline
The XLogP value of 3.8 indicates that 2-Fluoro-n-(2-nitrophenyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, 2-Fluoro-n-(2-nitrophenyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-n-(2-nitrophenyl)aniline 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 2-Fluoro-n-(2-nitrophenyl)aniline?
The CAS number of 2-Fluoro-n-(2-nitrophenyl)aniline is 29113-34-6.
What is the molecular formula of 2-Fluoro-n-(2-nitrophenyl)aniline?
The molecular formula of 2-Fluoro-n-(2-nitrophenyl)aniline is C12H9FN2O2.
What is the molecular weight of 2-Fluoro-n-(2-nitrophenyl)aniline?
The molecular weight of 2-Fluoro-n-(2-nitrophenyl)aniline is 232.06 g/mol.
Where can I buy 2-Fluoro-n-(2-nitrophenyl)aniline?
You can request a quote for 2-Fluoro-n-(2-nitrophenyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-n-(2-nitrophenyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-n-(2-nitrophenyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.