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 170.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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)
| Molecular Formula | C9H8ClF |
|---|---|
| Molecular Weight | 170.03 g/mol |
| LogP | 3.2076 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.02986 |
| Heavy Atoms | 11 |
| Complexity | 268.2653 |
Chemical Identifiers
| CAS Number | 121626-73-1 |
|---|---|
| SMILES | C=CCC1=CC(=C(C=C1)F)Cl |
Product Overview
1-Allyl-3-chloro-4-fluorobenzene (CAS 121626-73-1), with molecular formula C9H8ClF and molecular weight 170.03 g/mol. IUPAC: 2-chloro-1-fluoro-4-prop-2-enylbenzene.
Chemical Property Profile of 1-Allyl-3-chloro-4-fluorobenzene
Property Insights of 1-Allyl-3-chloro-4-fluorobenzene
The XLogP value of 3.2076 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 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
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 170.03 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Allyl-3-chloro-4-fluorobenzene?
Yes, KEHONG BIO 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.