4-Chloro-2-fluoro-5-nitrobenzoic acid
TL;DR: 4-Chloro-2-fluoro-5-nitrobenzoic acid (CAS 35112-05-1) is a chemical compound with molecular formula C7H3ClFNO4 and molecular weight 218.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-fluoro-5-nitrobenzoic acid
Also Known As: 4-chloro-2-fluoro-5-nitrobenzoic acid, null, 4-chloro-2-fluoro-5-nitro-benzoic Acid, 4-Chloro-2-fluoro-5-nitrobenzoicacid, 2-Fluoro-4-chloro-5-nitrobenzoic acid
| Molecular Formula | C7H3ClFNO4 |
|---|---|
| Molecular Weight | 218.97 g/mol |
| LogP | 2.0855 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.97346 |
| Heavy Atoms | 14 |
| Complexity | 385.14597 |
Chemical Identifiers
| CAS Number | 35112-05-1 |
|---|---|
| SMILES | C1=C(C(=CC(=C1[N+](=O)[O-])Cl)F)C(=O)O |
Product Overview
4-Chloro-2-fluoro-5-nitrobenzoic acid (CAS 35112-05-1), with molecular formula C7H3ClFNO4 and molecular weight 218.97 g/mol. IUPAC: 4-chloro-2-fluoro-5-nitrobenzoic acid.
Chemical Property Profile of 4-Chloro-2-fluoro-5-nitrobenzoic acid
Property Insights of 4-Chloro-2-fluoro-5-nitrobenzoic acid
The XLogP value of 2.0855 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-fluoro-5-nitrobenzoic acid. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2-fluoro-5-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-Chloro-2-fluoro-5-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-Chloro-2-fluoro-5-nitrobenzoic acid?
The CAS number of 4-Chloro-2-fluoro-5-nitrobenzoic acid is 35112-05-1.
What is the molecular formula of 4-Chloro-2-fluoro-5-nitrobenzoic acid?
The molecular formula of 4-Chloro-2-fluoro-5-nitrobenzoic acid is C7H3ClFNO4.
What is the molecular weight of 4-Chloro-2-fluoro-5-nitrobenzoic acid?
The molecular weight of 4-Chloro-2-fluoro-5-nitrobenzoic acid is 218.97 g/mol.
Where can I buy 4-Chloro-2-fluoro-5-nitrobenzoic acid?
You can request a quote for 4-Chloro-2-fluoro-5-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-Chloro-2-fluoro-5-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-fluoro-5-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.