4-Fluorophenyl 3-nitrobenzoate
TL;DR: 4-Fluorophenyl 3-nitrobenzoate (CAS 85965-96-4) 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.
(4-fluorophenyl) 3-nitrobenzoate
Also Known As: 4-fluorophenyl 3-nitrobenzoate, (4-fluorophenyl) 3-nitrobenzoate, 665-074-4
| 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 | 624.7953 |
Chemical Identifiers
| CAS Number | 85965-96-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)F |
Product Overview
4-Fluorophenyl 3-nitrobenzoate (CAS 85965-96-4), with molecular formula C13H8FNO4 and molecular weight 261.04 g/mol. IUPAC: (4-fluorophenyl) 3-nitrobenzoate.
Chemical Property Profile of 4-Fluorophenyl 3-nitrobenzoate
Property Insights of 4-Fluorophenyl 3-nitrobenzoate
The XLogP value of 2.9531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluorophenyl 3-nitrobenzoate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Fluorophenyl 3-nitrobenzoate. Following Lipinski's Rule of Five, 4-Fluorophenyl 3-nitrobenzoate 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 4-Fluorophenyl 3-nitrobenzoate?
The CAS number of 4-Fluorophenyl 3-nitrobenzoate is 85965-96-4.
What is the molecular formula of 4-Fluorophenyl 3-nitrobenzoate?
The molecular formula of 4-Fluorophenyl 3-nitrobenzoate is C13H8FNO4.
What is the molecular weight of 4-Fluorophenyl 3-nitrobenzoate?
The molecular weight of 4-Fluorophenyl 3-nitrobenzoate is 261.04 g/mol.
Where can I buy 4-Fluorophenyl 3-nitrobenzoate?
You can request a quote for 4-Fluorophenyl 3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorophenyl 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorophenyl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.