2-Fluoro-4-nitroanisole
TL;DR: 2-Fluoro-4-nitroanisole (CAS 455-93-6) is a chemical compound with molecular formula C7H6FNO3 and molecular weight 171.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-1-methoxy-4-nitrobenzene
Also Known As: 2-Fluoro-4-nitroanisole, 2-Fluoro-1-methoxy-4-nitrobenzene, 2-fluoro-4-nitroanisol, 4-nitro-2-fluoroanisol, 3-Fluoro-4-methoxynitrobenzene
| Molecular Formula | C7H6FNO3 |
|---|---|
| Molecular Weight | 171.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.03317 |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 455-93-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])F |
| InChIKey | XGMVTXUXZUPGGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Fluoro-4-nitroanisole (CAS 455-93-6), with molecular formula C7H6FNO3 and molecular weight 171.03 g/mol. IUPAC: 2-fluoro-1-methoxy-4-nitrobenzene.
Chemical Property Profile of 2-Fluoro-4-nitroanisole
Property Insights of 2-Fluoro-4-nitroanisole
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-4-nitroanisole. With a topological polar surface area (TPSA) of 55.1 Ų, 2-Fluoro-4-nitroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-4-nitroanisole 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-Fluoro-4-nitroanisole?
The CAS number of 2-Fluoro-4-nitroanisole is 455-93-6.
What is the molecular formula of 2-Fluoro-4-nitroanisole?
The molecular formula of 2-Fluoro-4-nitroanisole is C7H6FNO3.
What is the molecular weight of 2-Fluoro-4-nitroanisole?
The molecular weight of 2-Fluoro-4-nitroanisole is 171.03 g/mol.
Where can I buy 2-Fluoro-4-nitroanisole?
You can request a quote for 2-Fluoro-4-nitroanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-4-nitroanisole?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-4-nitroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.