Carbonic acid, ethyl alpha,alpha,alpha-trifluoro-2-nitro-p-tolyl ester
TL;DR: Carbonic acid, ethyl alpha,alpha,alpha-trifluoro-2-nitro-p-tolyl ester (CAS 20852-49-7) is a chemical compound with molecular formula C10H8F3NO5 and molecular weight 279.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl [2-nitro-4-(trifluoromethyl)phenyl] carbonate
Also Known As: Carbonic acid ethyl 4-trifluoromethyl-2-nitrophenyl ester, ethyl [2-nitro-4-(trifluoromethyl)phenyl] carbonate, ethyl 2-nitro-4-(trifluoromethyl)phenyl carbonate, 2-Nitro-4-trifluormethylphenyl ethyl carbonat, CARBONIC ACID, ETHYL alpha,alpha,alpha-TRIFLUORO-2-NITRO-p-TOLYL ESTER
| Molecular Formula | C10H8F3NO5 |
|---|---|
| Molecular Weight | 279.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.03546 |
| Heavy Atoms | 19 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 20852-49-7 |
|---|---|
| SMILES | CCOC(=O)OC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | PZTSFDBDXHHPJQ-UHFFFAOYSA-N |
Product Overview
Carbonic acid, ethyl alpha,alpha,alpha-trifluoro-2-nitro-p-tolyl ester (CAS 20852-49-7), with molecular formula C10H8F3NO5 and molecular weight 279.04 g/mol. IUPAC: ethyl [2-nitro-4-(trifluoromethyl)phenyl] carbonate.
Chemical Property Profile of Carbonic acid, ethyl alpha,alpha,alpha-trifluoro-2-nitro-p-tolyl ester
Property Insights of Carbonic acid, ethyl alpha,alpha,alpha-trifluoro-2-nitro-p-tolyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonic acid, ethyl alpha,alpha,alpha-trifluoro-2-nitro-p-tolyl ester. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonic acid, ethyl alpha,alpha,alpha-trifluoro-2-nitro-p-tolyl ester. Following Lipinski's Rule of Five, Carbonic acid, ethyl alpha,alpha,alpha-trifluoro-2-nitro-p-tolyl ester has 0 hydrogen bond donor(s) and 8 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 Carbonic acid, ethyl alpha,alpha,alpha-trifluoro-2-nitro-p-tolyl ester?
The CAS number of Carbonic acid, ethyl alpha,alpha,alpha-trifluoro-2-nitro-p-tolyl ester is 20852-49-7.
What is the molecular formula of Carbonic acid, ethyl alpha,alpha,alpha-trifluoro-2-nitro-p-tolyl ester?
The molecular formula of Carbonic acid, ethyl alpha,alpha,alpha-trifluoro-2-nitro-p-tolyl ester is C10H8F3NO5.
What is the molecular weight of Carbonic acid, ethyl alpha,alpha,alpha-trifluoro-2-nitro-p-tolyl ester?
The molecular weight of Carbonic acid, ethyl alpha,alpha,alpha-trifluoro-2-nitro-p-tolyl ester is 279.04 g/mol.
Where can I buy Carbonic acid, ethyl alpha,alpha,alpha-trifluoro-2-nitro-p-tolyl ester?
You can request a quote for Carbonic acid, ethyl alpha,alpha,alpha-trifluoro-2-nitro-p-tolyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid, ethyl alpha,alpha,alpha-trifluoro-2-nitro-p-tolyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, ethyl alpha,alpha,alpha-trifluoro-2-nitro-p-tolyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.