2-Chloro-4,6-dinitrobenzoic acid
TL;DR: 2-Chloro-4,6-dinitrobenzoic acid (CAS 95192-61-3) is a chemical compound with molecular formula C7H3ClN2O6 and molecular weight 245.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4,6-dinitrobenzoic acid
Also Known As: 2-chloro-4,6-dinitrobenzoic acid, 1,4-Benzodioxan-5-carboxylic acid, 2-chloro-4,6-dinitro-benzoic Acid, 2,6-DINITRO-4-IODOBENZOIC ACID, 2-CHLORO-4,6-DINITROBENZOICACID
| Molecular Formula | C7H3ClN2O6 |
|---|---|
| Molecular Weight | 245.97 g/mol |
| LogP | 1.8546 |
| Topological Polar Surface Area | 123.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.96796 |
| Heavy Atoms | 16 |
| Complexity | 499.89557 |
Chemical Identifiers
| CAS Number | 95192-61-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)O)Cl)[N+](=O)[O-] |
Product Overview
2-Chloro-4,6-dinitrobenzoic acid (CAS 95192-61-3), with molecular formula C7H3ClN2O6 and molecular weight 245.97 g/mol. IUPAC: 2-chloro-4,6-dinitrobenzoic acid.
Chemical Property Profile of 2-Chloro-4,6-dinitrobenzoic acid
Property Insights of 2-Chloro-4,6-dinitrobenzoic acid
The XLogP value of 1.8546 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4,6-dinitrobenzoic acid. The TPSA of 123.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-4,6-dinitrobenzoic acid. Following Lipinski's Rule of Five, 2-Chloro-4,6-dinitrobenzoic 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-Chloro-4,6-dinitrobenzoic acid?
The CAS number of 2-Chloro-4,6-dinitrobenzoic acid is 95192-61-3.
What is the molecular formula of 2-Chloro-4,6-dinitrobenzoic acid?
The molecular formula of 2-Chloro-4,6-dinitrobenzoic acid is C7H3ClN2O6.
What is the molecular weight of 2-Chloro-4,6-dinitrobenzoic acid?
The molecular weight of 2-Chloro-4,6-dinitrobenzoic acid is 245.97 g/mol.
Where can I buy 2-Chloro-4,6-dinitrobenzoic acid?
You can request a quote for 2-Chloro-4,6-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-Chloro-4,6-dinitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4,6-dinitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.