Benzene, 1-fluoro-4-(4-nitrophenoxy)-
TL;DR: Benzene, 1-fluoro-4-(4-nitrophenoxy)- (CAS 2561-25-3) is a chemical compound with molecular formula C12H8FNO3 and molecular weight 233.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenoxy)-4-nitrobenzene
Also Known As: 1-Fluoro-4-(4-nitrophenoxy)benzene, 1-(4-fluorophenoxy)-4-nitrobenzene, Benzene, 1-fluoro-4-(4-nitrophenoxy)-, 4-Fluoro-4 -nitrodiphenyl ether, 4-Nitrophenyl(4-fluorophenyl) ether
| Molecular Formula | C12H8FNO3 |
|---|---|
| Molecular Weight | 233.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.04883 |
| Heavy Atoms | 17 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 2561-25-3 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC2=CC=C(C=C2)F |
| InChIKey | QJTHFMCXPLYBAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-fluoro-4-(4-nitrophenoxy)- (CAS 2561-25-3), with molecular formula C12H8FNO3 and molecular weight 233.05 g/mol. IUPAC: 1-(4-fluorophenoxy)-4-nitrobenzene.
Chemical Property Profile of Benzene, 1-fluoro-4-(4-nitrophenoxy)-
Property Insights of Benzene, 1-fluoro-4-(4-nitrophenoxy)-
The XLogP value of 3.9 indicates that Benzene, 1-fluoro-4-(4-nitrophenoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, Benzene, 1-fluoro-4-(4-nitrophenoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-fluoro-4-(4-nitrophenoxy)- 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 Benzene, 1-fluoro-4-(4-nitrophenoxy)-?
The CAS number of Benzene, 1-fluoro-4-(4-nitrophenoxy)- is 2561-25-3.
What is the molecular formula of Benzene, 1-fluoro-4-(4-nitrophenoxy)-?
The molecular formula of Benzene, 1-fluoro-4-(4-nitrophenoxy)- is C12H8FNO3.
What is the molecular weight of Benzene, 1-fluoro-4-(4-nitrophenoxy)-?
The molecular weight of Benzene, 1-fluoro-4-(4-nitrophenoxy)- is 233.05 g/mol.
Where can I buy Benzene, 1-fluoro-4-(4-nitrophenoxy)-?
You can request a quote for Benzene, 1-fluoro-4-(4-nitrophenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-fluoro-4-(4-nitrophenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-fluoro-4-(4-nitrophenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.