3-Chloro-4-fluoro-5-nitrobenzotrifluoride
TL;DR: 3-Chloro-4-fluoro-5-nitrobenzotrifluoride (CAS 101646-09-7) is a chemical compound with molecular formula C7H2ClF4NO2 and molecular weight 242.97102 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-2-fluoro-3-nitro-5-(trifluoromethyl)benzene
Also Known As: 3-Chloro-4-fluoro-5-nitrobenzotrifluoride, 1-chloro-2-fluoro-3-nitro-5-(trifluoromethyl)benzene, 7403AC, Benzene, 1-chloro-2-fluoro-3-nitro-5-(trifluoromethyl)-, 5-fluoro-1-methyl-1H-indole-2-carbaldehyde
Technical Specifications
| Molecular Formula | C7H2ClF4NO2 |
| Molecular Weight | 242.97102 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 242.97102 Da |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])F)Cl)C(F)(F)F |
| InChIKey | JVOKKJHIEVEFEB-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-4-fluoro-5-nitrobenzotrifluoride
Property Insights of 3-Chloro-4-fluoro-5-nitrobenzotrifluoride
The XLogP value of 3.4 indicates that 3-Chloro-4-fluoro-5-nitrobenzotrifluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 3-Chloro-4-fluoro-5-nitrobenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-fluoro-5-nitrobenzotrifluoride 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 3-Chloro-4-fluoro-5-nitrobenzotrifluoride?
The CAS number of 3-Chloro-4-fluoro-5-nitrobenzotrifluoride is 101646-09-7.
What is the molecular formula of 3-Chloro-4-fluoro-5-nitrobenzotrifluoride?
The molecular formula of 3-Chloro-4-fluoro-5-nitrobenzotrifluoride is C7H2ClF4NO2.
What is the molecular weight of 3-Chloro-4-fluoro-5-nitrobenzotrifluoride?
The molecular weight of 3-Chloro-4-fluoro-5-nitrobenzotrifluoride is 242.97102 g/mol.
Where can I buy 3-Chloro-4-fluoro-5-nitrobenzotrifluoride?
You can request a quote for 3-Chloro-4-fluoro-5-nitrobenzotrifluoride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-4-fluoro-5-nitrobenzotrifluoride?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-4-fluoro-5-nitrobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.