Ethanol, 2,2-dichloro, 4-nitrobenzoate
TL;DR: Ethanol, 2,2-dichloro, 4-nitrobenzoate (CAS 103413-89-4) is a chemical compound with molecular formula C9H7Cl2NO4 and molecular weight 262.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloroethyl 4-nitrobenzoate
Also Known As: Dichlorethyl-p-nitrobenzoat, 2,2-dichloroethyl 4-nitrobenzoate, Ethanol, 2,2-dichloro, 4-nitrobenzoate, Benzoic acid, 4-nitro, 2,2-dichloroethyl ester
| Molecular Formula | C9H7Cl2NO4 |
|---|---|
| Molecular Weight | 262.98 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.97522 |
| Heavy Atoms | 16 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 103413-89-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCC(Cl)Cl)[N+](=O)[O-] |
| InChIKey | JIPLOCBYOXAWRX-UHFFFAOYSA-N |
Product Overview
Ethanol, 2,2-dichloro, 4-nitrobenzoate (CAS 103413-89-4), with molecular formula C9H7Cl2NO4 and molecular weight 262.98 g/mol. IUPAC: 2,2-dichloroethyl 4-nitrobenzoate.
Chemical Property Profile of Ethanol, 2,2-dichloro, 4-nitrobenzoate
Property Insights of Ethanol, 2,2-dichloro, 4-nitrobenzoate
The XLogP value of 3.3 indicates that Ethanol, 2,2-dichloro, 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanol, 2,2-dichloro, 4-nitrobenzoate. Following Lipinski's Rule of Five, Ethanol, 2,2-dichloro, 4-nitrobenzoate has 0 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 Ethanol, 2,2-dichloro, 4-nitrobenzoate?
The CAS number of Ethanol, 2,2-dichloro, 4-nitrobenzoate is 103413-89-4.
What is the molecular formula of Ethanol, 2,2-dichloro, 4-nitrobenzoate?
The molecular formula of Ethanol, 2,2-dichloro, 4-nitrobenzoate is C9H7Cl2NO4.
What is the molecular weight of Ethanol, 2,2-dichloro, 4-nitrobenzoate?
The molecular weight of Ethanol, 2,2-dichloro, 4-nitrobenzoate is 262.98 g/mol.
Where can I buy Ethanol, 2,2-dichloro, 4-nitrobenzoate?
You can request a quote for Ethanol, 2,2-dichloro, 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 2,2-dichloro, 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2,2-dichloro, 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.