1-Fluoro-2-(2-nitroethenyl)benzene
TL;DR: 1-Fluoro-2-(2-nitroethenyl)benzene (CAS 399-25-7) 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-2-(2-nitroethenyl)benzene
Also Known As: 1-fluoro-2-(2-nitroethenyl)benzene, 1-fluoro-2-(2-nitrovinyl)benzene, 2-Fluoro-beta-nitrostyrene, 1-fluoro-2-(2-nitro-vinyl)-benzene, (E)-1-fluoro-2-(2-nitrovinyl)benzene
| Molecular Formula | C8H6FNO2 |
|---|---|
| Molecular Weight | 167.04 g/mol |
| LogP | 2.3 |
| 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 | 188.0 |
Chemical Identifiers
| CAS Number | 399-25-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=C[N+](=O)[O-])F |
| InChIKey | NKZSNHAEWKEFNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Fluoro-2-(2-nitroethenyl)benzene (CAS 399-25-7), with molecular formula C8H6FNO2 and molecular weight 167.04 g/mol. IUPAC: 1-fluoro-2-(2-nitroethenyl)benzene.
Chemical Property Profile of 1-Fluoro-2-(2-nitroethenyl)benzene
Property Insights of 1-Fluoro-2-(2-nitroethenyl)benzene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Fluoro-2-(2-nitroethenyl)benzene. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Fluoro-2-(2-nitroethenyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Fluoro-2-(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-2-(2-nitroethenyl)benzene?
The CAS number of 1-Fluoro-2-(2-nitroethenyl)benzene is 399-25-7.
What is the molecular formula of 1-Fluoro-2-(2-nitroethenyl)benzene?
The molecular formula of 1-Fluoro-2-(2-nitroethenyl)benzene is C8H6FNO2.
What is the molecular weight of 1-Fluoro-2-(2-nitroethenyl)benzene?
The molecular weight of 1-Fluoro-2-(2-nitroethenyl)benzene is 167.04 g/mol.
Where can I buy 1-Fluoro-2-(2-nitroethenyl)benzene?
You can request a quote for 1-Fluoro-2-(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-2-(2-nitroethenyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Fluoro-2-(2-nitroethenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.