4,5-Dichloro-2-nitrobenzoic acid
TL;DR: 4,5-Dichloro-2-nitrobenzoic acid (CAS 2011-09-8) is a chemical compound with molecular formula C7H3Cl2NO4 and molecular weight 234.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dichloro-2-nitrobenzoic acid
Also Known As: 4,5-Dichloro-2-nitrobenzoic acid, 4,5-Dichloro-2-nitrobenzoicacid, 4,5-dichloro-2-nitro-benzoic acid, RefChem:285325
| Molecular Formula | C7H3Cl2NO4 |
|---|---|
| Molecular Weight | 234.94 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.94391 |
| Heavy Atoms | 14 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 2011-09-8 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])C(=O)O |
| InChIKey | SUHYJVCHLDIPIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dichloro-2-nitrobenzoic acid (CAS 2011-09-8), with molecular formula C7H3Cl2NO4 and molecular weight 234.94 g/mol. IUPAC: 4,5-dichloro-2-nitrobenzoic acid.
Chemical Property Profile of 4,5-Dichloro-2-nitrobenzoic acid
Property Insights of 4,5-Dichloro-2-nitrobenzoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dichloro-2-nitrobenzoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dichloro-2-nitrobenzoic acid. Following Lipinski's Rule of Five, 4,5-Dichloro-2-nitrobenzoic acid has 1 hydrogen bond donor(s) and 4 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 4,5-Dichloro-2-nitrobenzoic acid?
The CAS number of 4,5-Dichloro-2-nitrobenzoic acid is 2011-09-8.
What is the molecular formula of 4,5-Dichloro-2-nitrobenzoic acid?
The molecular formula of 4,5-Dichloro-2-nitrobenzoic acid is C7H3Cl2NO4.
What is the molecular weight of 4,5-Dichloro-2-nitrobenzoic acid?
The molecular weight of 4,5-Dichloro-2-nitrobenzoic acid is 234.94 g/mol.
Where can I buy 4,5-Dichloro-2-nitrobenzoic acid?
You can request a quote for 4,5-Dichloro-2-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dichloro-2-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dichloro-2-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.