1-Fluoro-4-(4-fluoro-2-nitrophenyl)-2-nitrobenzene
TL;DR: 1-Fluoro-4-(4-fluoro-2-nitrophenyl)-2-nitrobenzene (CAS 317-91-9) is a chemical compound with molecular formula C12H6F2N2O4 and molecular weight 280.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-4-(4-fluoro-2-nitrophenyl)-2-nitrobenzene
Also Known As: 4,4'-difluoro-2,3'-dinitro-biphenyl, 1-fluoro-4-(4-fluoro-2-nitrophenyl)-2-nitrobenzene, 4,4'-Difluoro-2,3'-dinitro-1,1'-biphenyl
| Molecular Formula | C12H6F2N2O4 |
|---|---|
| Molecular Weight | 280.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.02957 |
| Heavy Atoms | 20 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 317-91-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=C(C=C(C=C2)F)[N+](=O)[O-])[N+](=O)[O-])F |
| InChIKey | XICVIGSGDPJDHK-UHFFFAOYSA-N |
Product Overview
1-Fluoro-4-(4-fluoro-2-nitrophenyl)-2-nitrobenzene (CAS 317-91-9), with molecular formula C12H6F2N2O4 and molecular weight 280.03 g/mol. IUPAC: 1-fluoro-4-(4-fluoro-2-nitrophenyl)-2-nitrobenzene.
Chemical Property Profile of 1-Fluoro-4-(4-fluoro-2-nitrophenyl)-2-nitrobenzene
Property Insights of 1-Fluoro-4-(4-fluoro-2-nitrophenyl)-2-nitrobenzene
The XLogP value of 3.4 indicates that 1-Fluoro-4-(4-fluoro-2-nitrophenyl)-2-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Fluoro-4-(4-fluoro-2-nitrophenyl)-2-nitrobenzene. Following Lipinski's Rule of Five, 1-Fluoro-4-(4-fluoro-2-nitrophenyl)-2-nitrobenzene has 0 hydrogen bond donor(s) and 6 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 1-Fluoro-4-(4-fluoro-2-nitrophenyl)-2-nitrobenzene?
The CAS number of 1-Fluoro-4-(4-fluoro-2-nitrophenyl)-2-nitrobenzene is 317-91-9.
What is the molecular formula of 1-Fluoro-4-(4-fluoro-2-nitrophenyl)-2-nitrobenzene?
The molecular formula of 1-Fluoro-4-(4-fluoro-2-nitrophenyl)-2-nitrobenzene is C12H6F2N2O4.
What is the molecular weight of 1-Fluoro-4-(4-fluoro-2-nitrophenyl)-2-nitrobenzene?
The molecular weight of 1-Fluoro-4-(4-fluoro-2-nitrophenyl)-2-nitrobenzene is 280.03 g/mol.
Where can I buy 1-Fluoro-4-(4-fluoro-2-nitrophenyl)-2-nitrobenzene?
You can request a quote for 1-Fluoro-4-(4-fluoro-2-nitrophenyl)-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Fluoro-4-(4-fluoro-2-nitrophenyl)-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Fluoro-4-(4-fluoro-2-nitrophenyl)-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.