3-Fluoro-4-nitrophenolate
TL;DR: 3-Fluoro-4-nitrophenolate (CAS 394-41-2) is a chemical compound with molecular formula C6H3FNO3- and molecular weight 156.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-4-nitrophenolate
Also Known As: 3-fluoro-4-nitrophenolate, 3-Fluoro-4-nitrophenol
| Molecular Formula | C6H3FNO3- |
|---|---|
| Molecular Weight | 156.01 g/mol |
| LogP | 0.8075 |
| Topological Polar Surface Area | 66.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.00969 |
| Heavy Atoms | 11 |
| Complexity | 299.8789 |
Chemical Identifiers
| CAS Number | 394-41-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1[O-])F)[N+](=O)[O-] |
Product Overview
3-Fluoro-4-nitrophenolate (CAS 394-41-2), with molecular formula C6H3FNO3- and molecular weight 156.01 g/mol. IUPAC: 3-fluoro-4-nitrophenolate.
Chemical Property Profile of 3-Fluoro-4-nitrophenolate
Property Insights of 3-Fluoro-4-nitrophenolate
The XLogP value of 0.8075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoro-4-nitrophenolate. The TPSA of 66.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Fluoro-4-nitrophenolate. Following Lipinski's Rule of Five, 3-Fluoro-4-nitrophenolate has 0 hydrogen bond donor(s) and 3 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 3-Fluoro-4-nitrophenolate?
The CAS number of 3-Fluoro-4-nitrophenolate is 394-41-2.
What is the molecular formula of 3-Fluoro-4-nitrophenolate?
The molecular formula of 3-Fluoro-4-nitrophenolate is C6H3FNO3-.
What is the molecular weight of 3-Fluoro-4-nitrophenolate?
The molecular weight of 3-Fluoro-4-nitrophenolate is 156.01 g/mol.
Where can I buy 3-Fluoro-4-nitrophenolate?
You can request a quote for 3-Fluoro-4-nitrophenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoro-4-nitrophenolate?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-4-nitrophenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.