4-Fluoro-3-nitrobenzoic acid
TL;DR: 4-Fluoro-3-nitrobenzoic acid (CAS 453-71-4) is a chemical compound with molecular formula C7H4FNO4 and molecular weight 185.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-3-nitrobenzoic acid
Also Known As: 4-Fluoro-3-nitrobenzoic acid, 3-Nitro-4-fluorobenzoic acid, null, 4-Fluoro-3-nitrobenzoicacid, Afatinib Impurity 33
| Molecular Formula | C7H4FNO4 |
|---|---|
| Molecular Weight | 185.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.01244 |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 453-71-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])F |
| InChIKey | BOJWTAQWPVBIPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Fluoro-3-nitrobenzoic acid (CAS 453-71-4), with molecular formula C7H4FNO4 and molecular weight 185.01 g/mol. IUPAC: 4-fluoro-3-nitrobenzoic acid.
Chemical Property Profile of 4-Fluoro-3-nitrobenzoic acid
Property Insights of 4-Fluoro-3-nitrobenzoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-3-nitrobenzoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Fluoro-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-Fluoro-3-nitrobenzoic acid has 1 hydrogen bond donor(s) and 5 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-Fluoro-3-nitrobenzoic acid?
The CAS number of 4-Fluoro-3-nitrobenzoic acid is 453-71-4.
What is the molecular formula of 4-Fluoro-3-nitrobenzoic acid?
The molecular formula of 4-Fluoro-3-nitrobenzoic acid is C7H4FNO4.
What is the molecular weight of 4-Fluoro-3-nitrobenzoic acid?
The molecular weight of 4-Fluoro-3-nitrobenzoic acid is 185.01 g/mol.
Where can I buy 4-Fluoro-3-nitrobenzoic acid?
You can request a quote for 4-Fluoro-3-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluoro-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.