3-Chloro-4-(4-fluorophenoxy)aniline
TL;DR: 3-Chloro-4-(4-fluorophenoxy)aniline (CAS 1030009-77-8) is a chemical compound with molecular formula C12H9ClFNO and molecular weight 237.03568 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-4-(4-fluorophenoxy)aniline
Also Known As: 3-chloro-4-(4-fluorophenoxy)aniline, 3-chloro-4-(4-fluorophenoxy)phenylamine, Benzenamine, 3-chloro-4-(4-fluorophenoxy)-, BB 0262869, E87034
Technical Specifications
| Molecular Formula | C12H9ClFNO |
| Molecular Weight | 237.03568 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.03568 Da |
| Heavy Atoms | 16 |
| Complexity | 221.0 |
| SMILES | C1=CC(=CC=C1OC2=C(C=C(C=C2)N)Cl)F |
| InChIKey | GFNXPQYBXNTHIL-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-4-(4-fluorophenoxy)aniline
Property Insights of 3-Chloro-4-(4-fluorophenoxy)aniline
The XLogP value of 3.5 indicates that 3-Chloro-4-(4-fluorophenoxy)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, 3-Chloro-4-(4-fluorophenoxy)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-(4-fluorophenoxy)aniline has 1 hydrogen bond donor(s) and 3 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-(4-fluorophenoxy)aniline?
The CAS number of 3-Chloro-4-(4-fluorophenoxy)aniline is 1030009-77-8.
What is the molecular formula of 3-Chloro-4-(4-fluorophenoxy)aniline?
The molecular formula of 3-Chloro-4-(4-fluorophenoxy)aniline is C12H9ClFNO.
What is the molecular weight of 3-Chloro-4-(4-fluorophenoxy)aniline?
The molecular weight of 3-Chloro-4-(4-fluorophenoxy)aniline is 237.03568 g/mol.
Where can I buy 3-Chloro-4-(4-fluorophenoxy)aniline?
You can request a quote for 3-Chloro-4-(4-fluorophenoxy)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-4-(4-fluorophenoxy)aniline?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-4-(4-fluorophenoxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.