4-Chloro-n-(3-fluorophenyl)-2-nitroaniline
TL;DR: 4-Chloro-n-(3-fluorophenyl)-2-nitroaniline (CAS 16687-60-8) is a chemical compound with molecular formula C12H8ClFN2O2 and molecular weight 266.02585 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-N-(3-fluorophenyl)-2-nitroaniline
Also Known As: NCIOpen2_005905, 4-chloro-n-(3-fluorophenyl)-2-nitroaniline, BENZENAMINE,4-CHLORO-N-(3-FLUOROPHENYL)-2-NITRO-
Technical Specifications
| Molecular Formula | C12H8ClFN2O2 |
| Molecular Weight | 266.02585 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.02585 Da |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
| SMILES | C1=CC(=CC(=C1)F)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | BTRHAEXRNXUURB-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-n-(3-fluorophenyl)-2-nitroaniline
Property Insights of 4-Chloro-n-(3-fluorophenyl)-2-nitroaniline
The XLogP value of 4.6 indicates that 4-Chloro-n-(3-fluorophenyl)-2-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, 4-Chloro-n-(3-fluorophenyl)-2-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-n-(3-fluorophenyl)-2-nitroaniline has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Chloro-n-(3-fluorophenyl)-2-nitroaniline?
The CAS number of 4-Chloro-n-(3-fluorophenyl)-2-nitroaniline is 16687-60-8.
What is the molecular formula of 4-Chloro-n-(3-fluorophenyl)-2-nitroaniline?
The molecular formula of 4-Chloro-n-(3-fluorophenyl)-2-nitroaniline is C12H8ClFN2O2.
What is the molecular weight of 4-Chloro-n-(3-fluorophenyl)-2-nitroaniline?
The molecular weight of 4-Chloro-n-(3-fluorophenyl)-2-nitroaniline is 266.02585 g/mol.
Where can I buy 4-Chloro-n-(3-fluorophenyl)-2-nitroaniline?
You can request a quote for 4-Chloro-n-(3-fluorophenyl)-2-nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-n-(3-fluorophenyl)-2-nitroaniline?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-n-(3-fluorophenyl)-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.