2-Chloro-1-(2-nitroethenyl)-4-(trifluoromethyl)benzene
TL;DR: 2-Chloro-1-(2-nitroethenyl)-4-(trifluoromethyl)benzene (CAS 255377-80-1) is a chemical compound with molecular formula C9H5ClF3NO2 and molecular weight 251.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(2-nitroethenyl)-4-(trifluoromethyl)benzene
Also Known As: 2-chloro-1-(2-nitroethenyl)-4-(trifluoromethyl)benzene
| Molecular Formula | C9H5ClF3NO2 |
|---|---|
| Molecular Weight | 251.00 g/mol |
| LogP | 3.6062 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.9961 |
| Heavy Atoms | 16 |
| Complexity | 442.8705 |
Chemical Identifiers
| CAS Number | 255377-80-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Cl)C=C[N+](=O)[O-] |
Product Overview
2-Chloro-1-(2-nitroethenyl)-4-(trifluoromethyl)benzene (CAS 255377-80-1), with molecular formula C9H5ClF3NO2 and molecular weight 251.00 g/mol. IUPAC: 2-chloro-1-(2-nitroethenyl)-4-(trifluoromethyl)benzene.
Chemical Property Profile of 2-Chloro-1-(2-nitroethenyl)-4-(trifluoromethyl)benzene
Property Insights of 2-Chloro-1-(2-nitroethenyl)-4-(trifluoromethyl)benzene
The XLogP value of 3.6062 indicates that 2-Chloro-1-(2-nitroethenyl)-4-(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 2-Chloro-1-(2-nitroethenyl)-4-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(2-nitroethenyl)-4-(trifluoromethyl)benzene has 0 hydrogen bond donor(s) and 2 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 2-Chloro-1-(2-nitroethenyl)-4-(trifluoromethyl)benzene?
The CAS number of 2-Chloro-1-(2-nitroethenyl)-4-(trifluoromethyl)benzene is 255377-80-1.
What is the molecular formula of 2-Chloro-1-(2-nitroethenyl)-4-(trifluoromethyl)benzene?
The molecular formula of 2-Chloro-1-(2-nitroethenyl)-4-(trifluoromethyl)benzene is C9H5ClF3NO2.
What is the molecular weight of 2-Chloro-1-(2-nitroethenyl)-4-(trifluoromethyl)benzene?
The molecular weight of 2-Chloro-1-(2-nitroethenyl)-4-(trifluoromethyl)benzene is 251.00 g/mol.
Where can I buy 2-Chloro-1-(2-nitroethenyl)-4-(trifluoromethyl)benzene?
You can request a quote for 2-Chloro-1-(2-nitroethenyl)-4-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-(2-nitroethenyl)-4-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(2-nitroethenyl)-4-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.