1-Allyl-3-chloro-4-fluorobenzene
TL;DR: 1-Allyl-3-chloro-4-fluorobenzene (CAS 121626-73-1) is a chemical compound with molecular formula C9H8ClF and molecular weight 170.02986 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-1-fluoro-4-prop-2-enylbenzene
Also Known As: 3-(3-Chloro-4-fluorophenyl)-1-propene, 4-allyl-2-chloro-1-fluorobenzene, 2-chloro-1-fluoro-4-prop-2-enylbenzene, 1-allyl-3-chloro-4-fluorobenzene, 95% +(stabilized with TBC)
Technical Specifications
| Molecular Formula | C9H8ClF |
| Molecular Weight | 170.02986 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.02986 Da |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
| SMILES | C=CCC1=CC(=C(C=C1)F)Cl |
| InChIKey | LUVULFUQRHJDGP-UHFFFAOYSA-N |
Chemical Property Profile of 1-Allyl-3-chloro-4-fluorobenzene
Property Insights of 1-Allyl-3-chloro-4-fluorobenzene
The XLogP value of 3.7 indicates that 1-Allyl-3-chloro-4-fluorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Allyl-3-chloro-4-fluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allyl-3-chloro-4-fluorobenzene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Allyl-3-chloro-4-fluorobenzene?
The CAS number of 1-Allyl-3-chloro-4-fluorobenzene is 121626-73-1.
What is the molecular formula of 1-Allyl-3-chloro-4-fluorobenzene?
The molecular formula of 1-Allyl-3-chloro-4-fluorobenzene is C9H8ClF.
What is the molecular weight of 1-Allyl-3-chloro-4-fluorobenzene?
The molecular weight of 1-Allyl-3-chloro-4-fluorobenzene is 170.02986 g/mol.
Where can I buy 1-Allyl-3-chloro-4-fluorobenzene?
You can request a quote for 1-Allyl-3-chloro-4-fluorobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Allyl-3-chloro-4-fluorobenzene?
Yes, CoreyChem provides custom synthesis services for 1-Allyl-3-chloro-4-fluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.