4-Trifluoromethoxy-(2-nitro-vinyl)-benzene
TL;DR: 4-Trifluoromethoxy-(2-nitro-vinyl)-benzene (CAS 206559-72-0) is a chemical compound with molecular formula C9H6F3NO3 and molecular weight 233.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-nitroethenyl)-4-(trifluoromethoxy)benzene
Also Known As: 1-(2-nitroethenyl)-4-(trifluoromethoxy)benzene, beta-Nitro-4-(trifluoromethoxy)styrene, 4-trifluoromethoxy-(2-nitro-vinyl)-benzene, 1-trifluoromethoxy-4-(2-nitro-vinyl)-benzene, 4-(Trifluoromethoxy)-1-(2-nitroethenyl)benzene
| Molecular Formula | C9H6F3NO3 |
|---|---|
| Molecular Weight | 233.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.02998 |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 206559-72-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C[N+](=O)[O-])OC(F)(F)F |
| InChIKey | VQPCHPLGNGSFLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Trifluoromethoxy-(2-nitro-vinyl)-benzene (CAS 206559-72-0), with molecular formula C9H6F3NO3 and molecular weight 233.03 g/mol. IUPAC: 1-(2-nitroethenyl)-4-(trifluoromethoxy)benzene.
Chemical Property Profile of 4-Trifluoromethoxy-(2-nitro-vinyl)-benzene
Property Insights of 4-Trifluoromethoxy-(2-nitro-vinyl)-benzene
The XLogP value of 3.4 indicates that 4-Trifluoromethoxy-(2-nitro-vinyl)-benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 4-Trifluoromethoxy-(2-nitro-vinyl)-benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Trifluoromethoxy-(2-nitro-vinyl)-benzene has 0 hydrogen bond donor(s) and 6 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 4-Trifluoromethoxy-(2-nitro-vinyl)-benzene?
The CAS number of 4-Trifluoromethoxy-(2-nitro-vinyl)-benzene is 206559-72-0.
What is the molecular formula of 4-Trifluoromethoxy-(2-nitro-vinyl)-benzene?
The molecular formula of 4-Trifluoromethoxy-(2-nitro-vinyl)-benzene is C9H6F3NO3.
What is the molecular weight of 4-Trifluoromethoxy-(2-nitro-vinyl)-benzene?
The molecular weight of 4-Trifluoromethoxy-(2-nitro-vinyl)-benzene is 233.03 g/mol.
Where can I buy 4-Trifluoromethoxy-(2-nitro-vinyl)-benzene?
You can request a quote for 4-Trifluoromethoxy-(2-nitro-vinyl)-benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Trifluoromethoxy-(2-nitro-vinyl)-benzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Trifluoromethoxy-(2-nitro-vinyl)-benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.