2-Fluoro-6-nitrobenzoic acid
TL;DR: 2-Fluoro-6-nitrobenzoic acid (CAS 3850-38-2) 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.
2-fluoro-6-nitrobenzoic acid
Also Known As: 2-Fluoro-6-nitrobenzoic acid, null, 6-fluoro-2-nitrobenzoic acid, 2-Fluoro-6-nitro-benzoic acid, 2-Fluoro-6-nitrobenzoicacid
| Molecular Formula | C7H4FNO4 |
|---|---|
| Molecular Weight | 185.01 g/mol |
| LogP | 1.0 |
| 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 | 3850-38-2 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)C(=O)O)[N+](=O)[O-] |
| InChIKey | MPDZCNPDHUUPRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Fluoro-6-nitrobenzoic acid (CAS 3850-38-2), with molecular formula C7H4FNO4 and molecular weight 185.01 g/mol. IUPAC: 2-fluoro-6-nitrobenzoic acid.
Chemical Property Profile of 2-Fluoro-6-nitrobenzoic acid
Property Insights of 2-Fluoro-6-nitrobenzoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-6-nitrobenzoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Fluoro-6-nitrobenzoic acid. Following Lipinski's Rule of Five, 2-Fluoro-6-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 2-Fluoro-6-nitrobenzoic acid?
The CAS number of 2-Fluoro-6-nitrobenzoic acid is 3850-38-2.
What is the molecular formula of 2-Fluoro-6-nitrobenzoic acid?
The molecular formula of 2-Fluoro-6-nitrobenzoic acid is C7H4FNO4.
What is the molecular weight of 2-Fluoro-6-nitrobenzoic acid?
The molecular weight of 2-Fluoro-6-nitrobenzoic acid is 185.01 g/mol.
Where can I buy 2-Fluoro-6-nitrobenzoic acid?
You can request a quote for 2-Fluoro-6-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-6-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-6-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.