![2-[2-Nitro-4-(trifluoromethyl)phenoxy]phenyl 4-(chloromethyl)benzoate structure](/static/products/6805/680579-25-3.webp)
2-[2-Nitro-4-(trifluoromethyl)phenoxy]phenyl 4-(chloromethyl)benzoate
TL;DR: 2-[2-Nitro-4-(trifluoromethyl)phenoxy]phenyl 4-(chloromethyl)benzoate (CAS 680579-25-3) is a chemical compound with molecular formula C21H13ClF3NO5 and molecular weight 451.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl] 4-(chloromethyl)benzoate
Also Known As: 2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl 4-(chloromethyl)benzoate, [2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl] 4-(chloromethyl)benzoate
| Molecular Formula | C21H13ClF3NO5 |
|---|---|
| Molecular Weight | 451.04 g/mol |
| LogP | 6.3639 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.04343 |
| Heavy Atoms | 31 |
| Complexity | 1116.7432 |
Chemical Identifiers
| CAS Number | 680579-25-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)CCl |
Product Overview
2-[2-Nitro-4-(trifluoromethyl)phenoxy]phenyl 4-(chloromethyl)benzoate (CAS 680579-25-3), with molecular formula C21H13ClF3NO5 and molecular weight 451.04 g/mol. IUPAC: [2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl] 4-(chloromethyl)benzoate.
Chemical Property Profile of 2-[2-Nitro-4-(trifluoromethyl)phenoxy]phenyl 4-(chloromethyl)benzoate
Property Insights of 2-[2-Nitro-4-(trifluoromethyl)phenoxy]phenyl 4-(chloromethyl)benzoate
The XLogP value of 6.3639 indicates that 2-[2-Nitro-4-(trifluoromethyl)phenoxy]phenyl 4-(chloromethyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-Nitro-4-(trifluoromethyl)phenoxy]phenyl 4-(chloromethyl)benzoate. Following Lipinski's Rule of Five, 2-[2-Nitro-4-(trifluoromethyl)phenoxy]phenyl 4-(chloromethyl)benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[2-Nitro-4-(trifluoromethyl)phenoxy]phenyl 4-(chloromethyl)benzoate?
The CAS number of 2-[2-Nitro-4-(trifluoromethyl)phenoxy]phenyl 4-(chloromethyl)benzoate is 680579-25-3.
What is the molecular formula of 2-[2-Nitro-4-(trifluoromethyl)phenoxy]phenyl 4-(chloromethyl)benzoate?
The molecular formula of 2-[2-Nitro-4-(trifluoromethyl)phenoxy]phenyl 4-(chloromethyl)benzoate is C21H13ClF3NO5.
What is the molecular weight of 2-[2-Nitro-4-(trifluoromethyl)phenoxy]phenyl 4-(chloromethyl)benzoate?
The molecular weight of 2-[2-Nitro-4-(trifluoromethyl)phenoxy]phenyl 4-(chloromethyl)benzoate is 451.04 g/mol.
Where can I buy 2-[2-Nitro-4-(trifluoromethyl)phenoxy]phenyl 4-(chloromethyl)benzoate?
You can request a quote for 2-[2-Nitro-4-(trifluoromethyl)phenoxy]phenyl 4-(chloromethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-Nitro-4-(trifluoromethyl)phenoxy]phenyl 4-(chloromethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-Nitro-4-(trifluoromethyl)phenoxy]phenyl 4-(chloromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.