2-Chloro-1-(3-nitrophenoxy)-4-(trifluoromethyl)benzene
TL;DR: 2-Chloro-1-(3-nitrophenoxy)-4-(trifluoromethyl)benzene (CAS 62476-57-7) is a chemical compound with molecular formula C13H7ClF3NO3 and molecular weight 317.00665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-1-(3-nitrophenoxy)-4-(trifluoromethyl)benzene
Also Known As: 2-Chloro-1-(3-nitrophenoxy)-4-(trifluoromethyl)benzene, Benzene, 2-chloro-1-(3-nitrophenoxy)-4-(trifluoromethyl)-
Technical Specifications
| Molecular Formula | C13H7ClF3NO3 |
| Molecular Weight | 317.00665 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.00665 Da |
| Heavy Atoms | 21 |
| Complexity | 375.0 |
| SMILES | C1=CC(=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-] |
| InChIKey | WOFCZGIIFWLEEU-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-1-(3-nitrophenoxy)-4-(trifluoromethyl)benzene
Property Insights of 2-Chloro-1-(3-nitrophenoxy)-4-(trifluoromethyl)benzene
The XLogP value of 4.4 indicates that 2-Chloro-1-(3-nitrophenoxy)-4-(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 2-Chloro-1-(3-nitrophenoxy)-4-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(3-nitrophenoxy)-4-(trifluoromethyl)benzene 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
What is the CAS number of 2-Chloro-1-(3-nitrophenoxy)-4-(trifluoromethyl)benzene?
The CAS number of 2-Chloro-1-(3-nitrophenoxy)-4-(trifluoromethyl)benzene is 62476-57-7.
What is the molecular formula of 2-Chloro-1-(3-nitrophenoxy)-4-(trifluoromethyl)benzene?
The molecular formula of 2-Chloro-1-(3-nitrophenoxy)-4-(trifluoromethyl)benzene is C13H7ClF3NO3.
What is the molecular weight of 2-Chloro-1-(3-nitrophenoxy)-4-(trifluoromethyl)benzene?
The molecular weight of 2-Chloro-1-(3-nitrophenoxy)-4-(trifluoromethyl)benzene is 317.00665 g/mol.
Where can I buy 2-Chloro-1-(3-nitrophenoxy)-4-(trifluoromethyl)benzene?
You can request a quote for 2-Chloro-1-(3-nitrophenoxy)-4-(trifluoromethyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-1-(3-nitrophenoxy)-4-(trifluoromethyl)benzene?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-1-(3-nitrophenoxy)-4-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.