Ethyl 2-chloro-3,5-dinitrobenzoate
TL;DR: Ethyl 2-chloro-3,5-dinitrobenzoate (CAS 93753-74-3) is a chemical compound with molecular formula C9H7ClN2O6 and molecular weight 274.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-3,5-dinitrobenzoate
Also Known As: Ethyl 2-chloro-3,5-dinitrobenzoate, ethyl 2-chloro-3,5-dinitro-benzoate, 2-Chloro-3,5-dinitro-benzoic acid ethyl ester
| Molecular Formula | C9H7ClN2O6 |
|---|---|
| Molecular Weight | 274.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.99927 |
| Heavy Atoms | 18 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 93753-74-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])Cl |
| InChIKey | UGNMHSAEARMZRD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-chloro-3,5-dinitrobenzoate (CAS 93753-74-3), with molecular formula C9H7ClN2O6 and molecular weight 274.00 g/mol. IUPAC: ethyl 2-chloro-3,5-dinitrobenzoate.
Chemical Property Profile of Ethyl 2-chloro-3,5-dinitrobenzoate
Property Insights of Ethyl 2-chloro-3,5-dinitrobenzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-chloro-3,5-dinitrobenzoate. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-chloro-3,5-dinitrobenzoate. Following Lipinski's Rule of Five, Ethyl 2-chloro-3,5-dinitrobenzoate has 0 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 Ethyl 2-chloro-3,5-dinitrobenzoate?
The CAS number of Ethyl 2-chloro-3,5-dinitrobenzoate is 93753-74-3.
What is the molecular formula of Ethyl 2-chloro-3,5-dinitrobenzoate?
The molecular formula of Ethyl 2-chloro-3,5-dinitrobenzoate is C9H7ClN2O6.
What is the molecular weight of Ethyl 2-chloro-3,5-dinitrobenzoate?
The molecular weight of Ethyl 2-chloro-3,5-dinitrobenzoate is 274.00 g/mol.
Where can I buy Ethyl 2-chloro-3,5-dinitrobenzoate?
You can request a quote for Ethyl 2-chloro-3,5-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-chloro-3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-chloro-3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.