4-Fluoro-2-nitrobenzoic acid
TL;DR: 4-Fluoro-2-nitrobenzoic acid (CAS 394-01-4) 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-2-nitrobenzoic acid
Also Known As: 4-Fluoro-2-nitrobenzoic acid, null, 4-fluoro-2-nitrobenzoicacid, 2-nitro-4-fluorobenzoic acid, Afatinib Impurity 31
| Molecular Formula | C7H4FNO4 |
|---|---|
| Molecular Weight | 185.01 g/mol |
| LogP | 1.4321 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.01244 |
| Heavy Atoms | 13 |
| Complexity | 376.75534 |
Chemical Identifiers
| CAS Number | 394-01-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)[N+](=O)[O-])C(=O)O |
Product Overview
4-Fluoro-2-nitrobenzoic acid (CAS 394-01-4), with molecular formula C7H4FNO4 and molecular weight 185.01 g/mol. IUPAC: 4-fluoro-2-nitrobenzoic acid.
Chemical Property Profile of 4-Fluoro-2-nitrobenzoic acid
Property Insights of 4-Fluoro-2-nitrobenzoic acid
The XLogP value of 1.4321 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-2-nitrobenzoic acid. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Fluoro-2-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-Fluoro-2-nitrobenzoic acid has 1 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 4-Fluoro-2-nitrobenzoic acid?
The CAS number of 4-Fluoro-2-nitrobenzoic acid is 394-01-4.
What is the molecular formula of 4-Fluoro-2-nitrobenzoic acid?
The molecular formula of 4-Fluoro-2-nitrobenzoic acid is C7H4FNO4.
What is the molecular weight of 4-Fluoro-2-nitrobenzoic acid?
The molecular weight of 4-Fluoro-2-nitrobenzoic acid is 185.01 g/mol.
Where can I buy 4-Fluoro-2-nitrobenzoic acid?
You can request a quote for 4-Fluoro-2-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-2-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-2-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.