1-Fluoro-2-(2-nitroprop-1-enyl)benzene
TL;DR: 1-Fluoro-2-(2-nitroprop-1-enyl)benzene (CAS 829-40-3) is a chemical compound with molecular formula C9H8FNO2 and molecular weight 181.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-2-(2-nitroprop-1-enyl)benzene
Also Known As: 1-fluoro-2-(2-nitroprop-1-enyl)benzene, 1-Fluoro-2-(2-nitropropenyl)benzene, 1-(2-FLUOROPHENYL)-2-NITROPROPENE, 1-Fluoro-2-(2-nitroprop-1-en-1-yl)benzene, 2'-FLUORO-BETA-METHYL-BETA-NITROSTYRENE
| Molecular Formula | C9H8FNO2 |
|---|---|
| Molecular Weight | 181.05 g/mol |
| LogP | 2.4632 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.05391 |
| Heavy Atoms | 13 |
| Complexity | 360.38727 |
Chemical Identifiers
| CAS Number | 829-40-3 |
|---|---|
| SMILES | CC(=CC1=CC=CC=C1F)[N+](=O)[O-] |
Product Overview
1-Fluoro-2-(2-nitroprop-1-enyl)benzene (CAS 829-40-3), with molecular formula C9H8FNO2 and molecular weight 181.05 g/mol. IUPAC: 1-fluoro-2-(2-nitroprop-1-enyl)benzene.
Chemical Property Profile of 1-Fluoro-2-(2-nitroprop-1-enyl)benzene
Property Insights of 1-Fluoro-2-(2-nitroprop-1-enyl)benzene
The XLogP value of 2.4632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Fluoro-2-(2-nitroprop-1-enyl)benzene. With a topological polar surface area (TPSA) of 43.14 Ų, 1-Fluoro-2-(2-nitroprop-1-enyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Fluoro-2-(2-nitroprop-1-enyl)benzene 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 1-Fluoro-2-(2-nitroprop-1-enyl)benzene?
The CAS number of 1-Fluoro-2-(2-nitroprop-1-enyl)benzene is 829-40-3.
What is the molecular formula of 1-Fluoro-2-(2-nitroprop-1-enyl)benzene?
The molecular formula of 1-Fluoro-2-(2-nitroprop-1-enyl)benzene is C9H8FNO2.
What is the molecular weight of 1-Fluoro-2-(2-nitroprop-1-enyl)benzene?
The molecular weight of 1-Fluoro-2-(2-nitroprop-1-enyl)benzene is 181.05 g/mol.
Where can I buy 1-Fluoro-2-(2-nitroprop-1-enyl)benzene?
You can request a quote for 1-Fluoro-2-(2-nitroprop-1-enyl)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-nitroprop-1-enyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Fluoro-2-(2-nitroprop-1-enyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.