(5-Fluoro-2-nitrophenyl) benzoate
TL;DR: (5-Fluoro-2-nitrophenyl) benzoate (CAS 346-38-3) is a chemical compound with molecular formula C13H8FNO4 and molecular weight 261.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-fluoro-2-nitrophenyl) benzoate
Also Known As: (5-fluoro-2-nitrophenyl) benzoate, Phenol, 5-fluoro-2-nitro-, 1-benzoate
| Molecular Formula | C13H8FNO4 |
|---|---|
| Molecular Weight | 261.04 g/mol |
| LogP | 2.9531 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.04373 |
| Heavy Atoms | 19 |
| Complexity | 627.7953 |
Chemical Identifiers
| CAS Number | 346-38-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)F)[N+](=O)[O-] |
Product Overview
(5-Fluoro-2-nitrophenyl) benzoate (CAS 346-38-3), with molecular formula C13H8FNO4 and molecular weight 261.04 g/mol. IUPAC: (5-fluoro-2-nitrophenyl) benzoate.
Chemical Property Profile of (5-Fluoro-2-nitrophenyl) benzoate
Property Insights of (5-Fluoro-2-nitrophenyl) benzoate
The XLogP value of 2.9531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Fluoro-2-nitrophenyl) benzoate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Fluoro-2-nitrophenyl) benzoate. Following Lipinski's Rule of Five, (5-Fluoro-2-nitrophenyl) benzoate has 0 hydrogen bond donor(s) and 4 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 (5-Fluoro-2-nitrophenyl) benzoate?
The CAS number of (5-Fluoro-2-nitrophenyl) benzoate is 346-38-3.
What is the molecular formula of (5-Fluoro-2-nitrophenyl) benzoate?
The molecular formula of (5-Fluoro-2-nitrophenyl) benzoate is C13H8FNO4.
What is the molecular weight of (5-Fluoro-2-nitrophenyl) benzoate?
The molecular weight of (5-Fluoro-2-nitrophenyl) benzoate is 261.04 g/mol.
Where can I buy (5-Fluoro-2-nitrophenyl) benzoate?
You can request a quote for (5-Fluoro-2-nitrophenyl) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Fluoro-2-nitrophenyl) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (5-Fluoro-2-nitrophenyl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.