Methyl 5-(2-chloro-5-(trifluoromethyl)phenoxy)-2-nitrobenzoate
TL;DR: Methyl 5-(2-chloro-5-(trifluoromethyl)phenoxy)-2-nitrobenzoate (CAS 121325-44-8) is a chemical compound with molecular formula C15H9ClF3NO5 and molecular weight 375.01215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-[2-chloro-5-(trifluoromethyl)phenoxy]-2-nitrobenzoate
Also Known As: methyl 5-[2-chloro-5-(trifluoromethyl)phenoxy]-2-nitrobenzoate, Methyl 5-(2-chloro-5-(trifluoromethyl)phenoxy)-2-nitrobenzoate, 5-[2-Chloro-5-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid methyl ester, methyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate, Methyl 5-[2-chloro-5-(trifluoromethyl)phenoxy]-2-nitro-benzoate
Technical Specifications
| Molecular Formula | C15H9ClF3NO5 |
| Molecular Weight | 375.01215 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.01215 Da |
| Heavy Atoms | 25 |
| Complexity | 499.0 |
| SMILES | COC(=O)C1=C(C=CC(=C1)OC2=C(C=CC(=C2)C(F)(F)F)Cl)[N+](=O)[O-] |
| InChIKey | QBFYBNCGOQKESJ-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 5-(2-chloro-5-(trifluoromethyl)phenoxy)-2-nitrobenzoate
Property Insights of Methyl 5-(2-chloro-5-(trifluoromethyl)phenoxy)-2-nitrobenzoate
The XLogP value of 4.7 indicates that Methyl 5-(2-chloro-5-(trifluoromethyl)phenoxy)-2-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-(2-chloro-5-(trifluoromethyl)phenoxy)-2-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 5-(2-chloro-5-(trifluoromethyl)phenoxy)-2-nitrobenzoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 5-(2-chloro-5-(trifluoromethyl)phenoxy)-2-nitrobenzoate?
The CAS number of Methyl 5-(2-chloro-5-(trifluoromethyl)phenoxy)-2-nitrobenzoate is 121325-44-8.
What is the molecular formula of Methyl 5-(2-chloro-5-(trifluoromethyl)phenoxy)-2-nitrobenzoate?
The molecular formula of Methyl 5-(2-chloro-5-(trifluoromethyl)phenoxy)-2-nitrobenzoate is C15H9ClF3NO5.
What is the molecular weight of Methyl 5-(2-chloro-5-(trifluoromethyl)phenoxy)-2-nitrobenzoate?
The molecular weight of Methyl 5-(2-chloro-5-(trifluoromethyl)phenoxy)-2-nitrobenzoate is 375.01215 g/mol.
Where can I buy Methyl 5-(2-chloro-5-(trifluoromethyl)phenoxy)-2-nitrobenzoate?
You can request a quote for Methyl 5-(2-chloro-5-(trifluoromethyl)phenoxy)-2-nitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 5-(2-chloro-5-(trifluoromethyl)phenoxy)-2-nitrobenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 5-(2-chloro-5-(trifluoromethyl)phenoxy)-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.