1-(4-Chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene
TL;DR: 1-(4-Chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene (CAS 21802-08-4) is a chemical compound with molecular formula C13H7ClF3NO3 and molecular weight 317.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene
Also Known As: 1-(4-chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene, 4-(4-chlorophenoxy)-3-(trifluoromethyl)nitrobenzene, 1-(4-Chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene, 98%
| Molecular Formula | C13H7ClF3NO3 |
|---|---|
| Molecular Weight | 317.01 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.00665 |
| Heavy Atoms | 21 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 21802-08-4 |
|---|---|
| SMILES | C1=CC(=CC=C1OC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)Cl |
| InChIKey | OIZNELPPMYNXST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene (CAS 21802-08-4), with molecular formula C13H7ClF3NO3 and molecular weight 317.01 g/mol. IUPAC: 1-(4-chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene.
Chemical Property Profile of 1-(4-Chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene
Property Insights of 1-(4-Chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene
The XLogP value of 4.8 indicates that 1-(4-Chlorophenoxy)-4-nitro-2-(trifluoromethyl)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, 1-(4-Chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenoxy)-4-nitro-2-(trifluoromethyl)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 1-(4-Chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene?
The CAS number of 1-(4-Chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene is 21802-08-4.
What is the molecular formula of 1-(4-Chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene?
The molecular formula of 1-(4-Chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene is C13H7ClF3NO3.
What is the molecular weight of 1-(4-Chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene?
The molecular weight of 1-(4-Chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene is 317.01 g/mol.
Where can I buy 1-(4-Chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene?
You can request a quote for 1-(4-Chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.