2-Chloro-4-trifluoromethylphenyl 4-nitrophenyl ether
TL;DR: 2-Chloro-4-trifluoromethylphenyl 4-nitrophenyl ether (CAS 42874-01-1) 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.
2-chloro-1-(4-nitrophenoxy)-4-(trifluoromethyl)benzene
Also Known As: Nitrofluorfen, Nitrofluorofen, Nitrofluorfene, Nitrofluorfen [ANSI], 2-chloro-1-(4-nitrophenoxy)-4-(trifluoromethyl)benzene
| Molecular Formula | C13H7ClF3NO3 |
|---|---|
| Molecular Weight | 317.01 g/mol |
| LogP | 4.4 |
| 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 | 42874-01-1 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)C(F)(F)F)Cl |
| InChIKey | ZGGSVBWJVIXBHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-4-trifluoromethylphenyl 4-nitrophenyl ether (CAS 42874-01-1), with molecular formula C13H7ClF3NO3 and molecular weight 317.01 g/mol. IUPAC: 2-chloro-1-(4-nitrophenoxy)-4-(trifluoromethyl)benzene.
Chemical Property Profile of 2-Chloro-4-trifluoromethylphenyl 4-nitrophenyl ether
Property Insights of 2-Chloro-4-trifluoromethylphenyl 4-nitrophenyl ether
The XLogP value of 4.4 indicates that 2-Chloro-4-trifluoromethylphenyl 4-nitrophenyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 2-Chloro-4-trifluoromethylphenyl 4-nitrophenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-trifluoromethylphenyl 4-nitrophenyl ether 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 2-Chloro-4-trifluoromethylphenyl 4-nitrophenyl ether?
The CAS number of 2-Chloro-4-trifluoromethylphenyl 4-nitrophenyl ether is 42874-01-1.
What is the molecular formula of 2-Chloro-4-trifluoromethylphenyl 4-nitrophenyl ether?
The molecular formula of 2-Chloro-4-trifluoromethylphenyl 4-nitrophenyl ether is C13H7ClF3NO3.
What is the molecular weight of 2-Chloro-4-trifluoromethylphenyl 4-nitrophenyl ether?
The molecular weight of 2-Chloro-4-trifluoromethylphenyl 4-nitrophenyl ether is 317.01 g/mol.
Where can I buy 2-Chloro-4-trifluoromethylphenyl 4-nitrophenyl ether?
You can request a quote for 2-Chloro-4-trifluoromethylphenyl 4-nitrophenyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-trifluoromethylphenyl 4-nitrophenyl ether?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-trifluoromethylphenyl 4-nitrophenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.