1-Fluoro-4-(2-nitroethenyl)benzene
TL;DR: 1-Fluoro-4-(2-nitroethenyl)benzene (CAS 706-08-1) is a chemical compound with molecular formula C8H6FNO2 and molecular weight 167.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-4-(2-nitroethenyl)benzene
Also Known As: 1-fluoro-4-(2-nitrovinyl)benzene, 4-Fluoro-beta-nitrostyrene, 1-fluoro-4-(2-nitroethenyl)benzene, 4-FLUORO--NITROSTYRENE, (E)-1-fluoro-4-(2-nitrovinyl)benzene
| Molecular Formula | C8H6FNO2 |
|---|---|
| Molecular Weight | 167.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.03825 |
| Heavy Atoms | 12 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 706-08-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C[N+](=O)[O-])F |
| InChIKey | VRFSQVFSQAYHRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Fluoro-4-(2-nitroethenyl)benzene (CAS 706-08-1), with molecular formula C8H6FNO2 and molecular weight 167.04 g/mol. IUPAC: 1-fluoro-4-(2-nitroethenyl)benzene.
Chemical Property Profile of 1-Fluoro-4-(2-nitroethenyl)benzene
Property Insights of 1-Fluoro-4-(2-nitroethenyl)benzene
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Fluoro-4-(2-nitroethenyl)benzene. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Fluoro-4-(2-nitroethenyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Fluoro-4-(2-nitroethenyl)benzene has 0 hydrogen bond donor(s) and 3 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-(2-nitroethenyl)benzene?
The CAS number of 1-Fluoro-4-(2-nitroethenyl)benzene is 706-08-1.
What is the molecular formula of 1-Fluoro-4-(2-nitroethenyl)benzene?
The molecular formula of 1-Fluoro-4-(2-nitroethenyl)benzene is C8H6FNO2.
What is the molecular weight of 1-Fluoro-4-(2-nitroethenyl)benzene?
The molecular weight of 1-Fluoro-4-(2-nitroethenyl)benzene is 167.04 g/mol.
Where can I buy 1-Fluoro-4-(2-nitroethenyl)benzene?
You can request a quote for 1-Fluoro-4-(2-nitroethenyl)benzene 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-(2-nitroethenyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Fluoro-4-(2-nitroethenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.