(E)-3-(2-Chloro-6-fluorophenyl)acrylaldehyde
TL;DR: (E)-3-(2-Chloro-6-fluorophenyl)acrylaldehyde (CAS 1440704-94-8) is a chemical compound with molecular formula C9H6ClFO and molecular weight 184.00912 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(2-chloro-6-fluorophenyl)prop-2-enal
Also Known As: 2-Chloro-6-fluorocinnamaldehyde, 3-(2-chloro-6-fluorophenyl)prop-2-enal, (E)-3-(2-CHLORO-6-FLUOROPHENYL)ACRYLALDEHYDE, (E)-3-(2-chloro-6-fluorophenyl)prop-2-enal, (E)-3-(2-chloro-6-fluoro-phenyl)prop-2-enal
Technical Specifications
| Molecular Formula | C9H6ClFO |
| Molecular Weight | 184.00912 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.00912 Da |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
| SMILES | C1=CC(=C(C(=C1)Cl)/C=C/C=O)F |
| InChIKey | CULZNIOWOCPUHH-NSCUHMNNSA-N |
Chemical Property Profile of (E)-3-(2-Chloro-6-fluorophenyl)acrylaldehyde
Property Insights of (E)-3-(2-Chloro-6-fluorophenyl)acrylaldehyde
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(2-Chloro-6-fluorophenyl)acrylaldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, (E)-3-(2-Chloro-6-fluorophenyl)acrylaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(2-Chloro-6-fluorophenyl)acrylaldehyde has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-3-(2-Chloro-6-fluorophenyl)acrylaldehyde?
The CAS number of (E)-3-(2-Chloro-6-fluorophenyl)acrylaldehyde is 1440704-94-8.
What is the molecular formula of (E)-3-(2-Chloro-6-fluorophenyl)acrylaldehyde?
The molecular formula of (E)-3-(2-Chloro-6-fluorophenyl)acrylaldehyde is C9H6ClFO.
What is the molecular weight of (E)-3-(2-Chloro-6-fluorophenyl)acrylaldehyde?
The molecular weight of (E)-3-(2-Chloro-6-fluorophenyl)acrylaldehyde is 184.00912 g/mol.
Where can I buy (E)-3-(2-Chloro-6-fluorophenyl)acrylaldehyde?
You can request a quote for (E)-3-(2-Chloro-6-fluorophenyl)acrylaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-(2-Chloro-6-fluorophenyl)acrylaldehyde?
Yes, CoreyChem provides custom synthesis services for (E)-3-(2-Chloro-6-fluorophenyl)acrylaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.