(2-Nitro-vinyl)-3-fluorobenzene
TL;DR: (2-Nitro-vinyl)-3-fluorobenzene (CAS 1979-49-3) 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-3-(2-nitroethenyl)benzene
Also Known As: 1-fluoro-3-(2-nitrovinyl)benzene, (2-nitro-vinyl)-3-fluorobenzene, 1-fluoro-3-(2-nitroethenyl)benzene, (E)-1-Fluoro-3-(2-nitrovinyl)benzene, 1-fluoro-3-[(E)-2-nitroethenyl]benzene
| Molecular Formula | C8H6FNO2 |
|---|---|
| Molecular Weight | 167.04 g/mol |
| LogP | 2.0 |
| 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 | 1979-49-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C=C[N+](=O)[O-] |
| InChIKey | NOXNBNYWEWJUTM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Nitro-vinyl)-3-fluorobenzene (CAS 1979-49-3), with molecular formula C8H6FNO2 and molecular weight 167.04 g/mol. IUPAC: 1-fluoro-3-(2-nitroethenyl)benzene.
Chemical Property Profile of (2-Nitro-vinyl)-3-fluorobenzene
Property Insights of (2-Nitro-vinyl)-3-fluorobenzene
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Nitro-vinyl)-3-fluorobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, (2-Nitro-vinyl)-3-fluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Nitro-vinyl)-3-fluorobenzene 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 (2-Nitro-vinyl)-3-fluorobenzene?
The CAS number of (2-Nitro-vinyl)-3-fluorobenzene is 1979-49-3.
What is the molecular formula of (2-Nitro-vinyl)-3-fluorobenzene?
The molecular formula of (2-Nitro-vinyl)-3-fluorobenzene is C8H6FNO2.
What is the molecular weight of (2-Nitro-vinyl)-3-fluorobenzene?
The molecular weight of (2-Nitro-vinyl)-3-fluorobenzene is 167.04 g/mol.
Where can I buy (2-Nitro-vinyl)-3-fluorobenzene?
You can request a quote for (2-Nitro-vinyl)-3-fluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Nitro-vinyl)-3-fluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for (2-Nitro-vinyl)-3-fluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.