2-Nitrophenyl 3-fluorobenzoate
TL;DR: 2-Nitrophenyl 3-fluorobenzoate (CAS 155380-14-6) is a chemical compound with molecular formula C13H8FNO4 and molecular weight 261.04373 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-nitrophenyl) 3-fluorobenzoate
Also Known As: 2-nitrophenyl 3-fluorobenzoate, (2-nitrophenyl) 3-fluorobenzoate, AN-652/41269524
Technical Specifications
| Molecular Formula | C13H8FNO4 |
| Molecular Weight | 261.04373 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.04373 Da |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)F |
| InChIKey | VMWCIMJVLYTXKM-UHFFFAOYSA-N |
Chemical Property Profile of 2-Nitrophenyl 3-fluorobenzoate
Property Insights of 2-Nitrophenyl 3-fluorobenzoate
The XLogP value of 3.3 indicates that 2-Nitrophenyl 3-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrophenyl 3-fluorobenzoate. Following Lipinski's Rule of Five, 2-Nitrophenyl 3-fluorobenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Nitrophenyl 3-fluorobenzoate?
The CAS number of 2-Nitrophenyl 3-fluorobenzoate is 155380-14-6.
What is the molecular formula of 2-Nitrophenyl 3-fluorobenzoate?
The molecular formula of 2-Nitrophenyl 3-fluorobenzoate is C13H8FNO4.
What is the molecular weight of 2-Nitrophenyl 3-fluorobenzoate?
The molecular weight of 2-Nitrophenyl 3-fluorobenzoate is 261.04373 g/mol.
Where can I buy 2-Nitrophenyl 3-fluorobenzoate?
You can request a quote for 2-Nitrophenyl 3-fluorobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Nitrophenyl 3-fluorobenzoate?
Yes, CoreyChem provides custom synthesis services for 2-Nitrophenyl 3-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.