beta-Nitro-4-(trifluoromethoxy)styrene
TL;DR: beta-Nitro-4-(trifluoromethoxy)styrene (CAS 202061-22-1) 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-[(E)-2-nitroethenyl]-4-(trifluoromethoxy)benzene
Also Known As: beta-Nitro-4-(trifluoromethoxy)styrene, 1-(2-nitroethenyl)-4-(trifluoromethoxy)benzene, 1-[(E)-2-nitroethenyl]-4-(trifluoromethoxy)benzene, A-Nitro-4-(trifluoromethoxy)styrene, 4-trifluoromethoxy-(2-nitro-vinyl)-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 | 202061-22-1 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/[N+](=O)[O-])OC(F)(F)F |
| InChIKey | VQPCHPLGNGSFLJ-AATRIKPKSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Nitro-4-(trifluoromethoxy)styrene (CAS 202061-22-1), with molecular formula C9H6F3NO3 and molecular weight 233.03 g/mol. IUPAC: 1-[(E)-2-nitroethenyl]-4-(trifluoromethoxy)benzene.
Chemical Property Profile of beta-Nitro-4-(trifluoromethoxy)styrene
Property Insights of beta-Nitro-4-(trifluoromethoxy)styrene
The XLogP value of 3.4 indicates that beta-Nitro-4-(trifluoromethoxy)styrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, beta-Nitro-4-(trifluoromethoxy)styrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Nitro-4-(trifluoromethoxy)styrene 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 beta-Nitro-4-(trifluoromethoxy)styrene?
The CAS number of beta-Nitro-4-(trifluoromethoxy)styrene is 202061-22-1.
What is the molecular formula of beta-Nitro-4-(trifluoromethoxy)styrene?
The molecular formula of beta-Nitro-4-(trifluoromethoxy)styrene is C9H6F3NO3.
What is the molecular weight of beta-Nitro-4-(trifluoromethoxy)styrene?
The molecular weight of beta-Nitro-4-(trifluoromethoxy)styrene is 233.03 g/mol.
Where can I buy beta-Nitro-4-(trifluoromethoxy)styrene?
You can request a quote for beta-Nitro-4-(trifluoromethoxy)styrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Nitro-4-(trifluoromethoxy)styrene?
Yes, KEHONG BIO provides custom synthesis services for beta-Nitro-4-(trifluoromethoxy)styrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.