Ethanol, 2-chloro-2,2-dinitro-
TL;DR: Ethanol, 2-chloro-2,2-dinitro- (CAS 918-53-6) is a chemical compound with molecular formula C2H3ClN2O5 and molecular weight 169.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-2,2-dinitroethanol
Also Known As: 2-Chloro-2,2-dinitroethanol, Ethanol, 2-chloro-2,2-dinitro-, 2-Chlor-2,2-dinitroethanol, 2-Chloro-2,2-dinitroethan-1-ol, RefChem:1084478
| Molecular Formula | C2H3ClN2O5 |
|---|---|
| Molecular Weight | 169.97 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.97305 |
| Heavy Atoms | 10 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 918-53-6 |
|---|---|
| SMILES | C(C([N+](=O)[O-])([N+](=O)[O-])Cl)O |
| InChIKey | XQYDERLCYFKQIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanol, 2-chloro-2,2-dinitro- (CAS 918-53-6), with molecular formula C2H3ClN2O5 and molecular weight 169.97 g/mol. IUPAC: 2-chloro-2,2-dinitroethanol.
Chemical Property Profile of Ethanol, 2-chloro-2,2-dinitro-
Property Insights of Ethanol, 2-chloro-2,2-dinitro-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 2-chloro-2,2-dinitro-. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanol, 2-chloro-2,2-dinitro-. Following Lipinski's Rule of Five, Ethanol, 2-chloro-2,2-dinitro- 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 Ethanol, 2-chloro-2,2-dinitro-?
The CAS number of Ethanol, 2-chloro-2,2-dinitro- is 918-53-6.
What is the molecular formula of Ethanol, 2-chloro-2,2-dinitro-?
The molecular formula of Ethanol, 2-chloro-2,2-dinitro- is C2H3ClN2O5.
What is the molecular weight of Ethanol, 2-chloro-2,2-dinitro-?
The molecular weight of Ethanol, 2-chloro-2,2-dinitro- is 169.97 g/mol.
Where can I buy Ethanol, 2-chloro-2,2-dinitro-?
You can request a quote for Ethanol, 2-chloro-2,2-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 2-chloro-2,2-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2-chloro-2,2-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.