2-(3-Nitrophenoxy)benzoic acid
TL;DR: 2-(3-Nitrophenoxy)benzoic acid (CAS 69784-34-5) is a chemical compound with molecular formula C13H9NO5 and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitrophenoxy)benzoic acid
Also Known As: 2-(3-nitrophenoxy)benzoic acid, Maybridge1_006457, Benzoic acid,2-(3-nitrophenoxy)-
| Molecular Formula | C13H9NO5 |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.04807 |
| Heavy Atoms | 19 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 69784-34-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)OC2=CC=CC(=C2)[N+](=O)[O-] |
| InChIKey | GMOXZMUNJIZOHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-Nitrophenoxy)benzoic acid (CAS 69784-34-5), with molecular formula C13H9NO5 and molecular weight 259.05 g/mol. IUPAC: 2-(3-nitrophenoxy)benzoic acid.
Chemical Property Profile of 2-(3-Nitrophenoxy)benzoic acid
Property Insights of 2-(3-Nitrophenoxy)benzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Nitrophenoxy)benzoic acid. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Nitrophenoxy)benzoic acid. Following Lipinski's Rule of Five, 2-(3-Nitrophenoxy)benzoic 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-(3-Nitrophenoxy)benzoic acid?
The CAS number of 2-(3-Nitrophenoxy)benzoic acid is 69784-34-5.
What is the molecular formula of 2-(3-Nitrophenoxy)benzoic acid?
The molecular formula of 2-(3-Nitrophenoxy)benzoic acid is C13H9NO5.
What is the molecular weight of 2-(3-Nitrophenoxy)benzoic acid?
The molecular weight of 2-(3-Nitrophenoxy)benzoic acid is 259.05 g/mol.
Where can I buy 2-(3-Nitrophenoxy)benzoic acid?
You can request a quote for 2-(3-Nitrophenoxy)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Nitrophenoxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Nitrophenoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.