2,3-Dinitrobenzoic acid
TL;DR: 2,3-Dinitrobenzoic acid (CAS 40464-56-0) is a chemical compound with molecular formula C7H4N2O6 and molecular weight 212.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dinitrobenzoic acid
Also Known As: 2,3-Dinitrobenzoic acid, Dinitrobenzoic acid, 2,3-di-nitrobenzoic acid, Benzoic acid, dinitro-, 2.3-Dinitro-benzoesaeure
| Molecular Formula | C7H4N2O6 |
|---|---|
| Molecular Weight | 212.01 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.00694 |
| Heavy Atoms | 15 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 40464-56-0 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)O |
| InChIKey | HCSBTDBGTNZOAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dinitrobenzoic acid (CAS 40464-56-0), with molecular formula C7H4N2O6 and molecular weight 212.01 g/mol. IUPAC: 2,3-dinitrobenzoic acid.
Chemical Property Profile of 2,3-Dinitrobenzoic acid
Property Insights of 2,3-Dinitrobenzoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dinitrobenzoic acid. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dinitrobenzoic acid. Following Lipinski's Rule of Five, 2,3-Dinitrobenzoic acid has 1 hydrogen bond donor(s) and 6 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-Dinitrobenzoic acid?
The CAS number of 2,3-Dinitrobenzoic acid is 40464-56-0.
What is the molecular formula of 2,3-Dinitrobenzoic acid?
The molecular formula of 2,3-Dinitrobenzoic acid is C7H4N2O6.
What is the molecular weight of 2,3-Dinitrobenzoic acid?
The molecular weight of 2,3-Dinitrobenzoic acid is 212.01 g/mol.
Where can I buy 2,3-Dinitrobenzoic acid?
You can request a quote for 2,3-Dinitrobenzoic 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-Dinitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dinitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.