o-Fluoro-beta-nitrostyrene
TL;DR: o-Fluoro-beta-nitrostyrene (CAS 42136-05-0) 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-[(E)-2-nitroethenyl]benzene
Also Known As: 1-fluoro-2-(2-nitrovinyl)benzene, (E)-1-fluoro-2-(2-nitrovinyl)benzene, 2-Fluoro-beta-nitrostyrene, 2-Fluoro-ss-nitrostyrene, o-Fluoro-beta-nitrostyrene
| Molecular Formula | C8H6FNO2 |
|---|---|
| Molecular Weight | 167.04 g/mol |
| LogP | 2.0731 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.03825 |
| Heavy Atoms | 12 |
| Complexity | 322.58884 |
Chemical Identifiers
| CAS Number | 42136-05-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C/[N+](=O)[O-])F |
Product Overview
o-Fluoro-beta-nitrostyrene (CAS 42136-05-0), with molecular formula C8H6FNO2 and molecular weight 167.04 g/mol. IUPAC: 1-fluoro-2-[(E)-2-nitroethenyl]benzene.
Chemical Property Profile of o-Fluoro-beta-nitrostyrene
Property Insights of o-Fluoro-beta-nitrostyrene
The XLogP value of 2.0731 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Fluoro-beta-nitrostyrene. With a topological polar surface area (TPSA) of 43.14 Ų, o-Fluoro-beta-nitrostyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Fluoro-beta-nitrostyrene has 0 hydrogen bond donor(s) and 2 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 o-Fluoro-beta-nitrostyrene?
The CAS number of o-Fluoro-beta-nitrostyrene is 42136-05-0.
What is the molecular formula of o-Fluoro-beta-nitrostyrene?
The molecular formula of o-Fluoro-beta-nitrostyrene is C8H6FNO2.
What is the molecular weight of o-Fluoro-beta-nitrostyrene?
The molecular weight of o-Fluoro-beta-nitrostyrene is 167.04 g/mol.
Where can I buy o-Fluoro-beta-nitrostyrene?
You can request a quote for o-Fluoro-beta-nitrostyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Fluoro-beta-nitrostyrene?
Yes, KEHONG BIO provides custom synthesis services for o-Fluoro-beta-nitrostyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.