3-(2-Fluoro-phenyl)-acrylic acid 4-nitro-phenyl ester
TL;DR: 3-(2-Fluoro-phenyl)-acrylic acid 4-nitro-phenyl ester (CAS 1513731-17-3) is a chemical compound with molecular formula C15H10FNO4 and molecular weight 287.0594 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-nitrophenyl) (E)-3-(2-fluorophenyl)prop-2-enoate
Also Known As: 3-(2-Fluoro-phenyl)-acrylic acid 4-nitro-phenyl ester, (4-nitrophenyl) (E)-3-(2-fluorophenyl)prop-2-enoate
Technical Specifications
| Molecular Formula | C15H10FNO4 |
| Molecular Weight | 287.0594 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.0594 Da |
| Heavy Atoms | 21 |
| Complexity | 399.0 |
| SMILES | C1=CC=C(C(=C1)/C=C/C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])F |
| InChIKey | AZTODXWZMQKMFW-BJMVGYQFSA-N |
Chemical Property Profile of 3-(2-Fluoro-phenyl)-acrylic acid 4-nitro-phenyl ester
Property Insights of 3-(2-Fluoro-phenyl)-acrylic acid 4-nitro-phenyl ester
The XLogP value of 3.7 indicates that 3-(2-Fluoro-phenyl)-acrylic acid 4-nitro-phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Fluoro-phenyl)-acrylic acid 4-nitro-phenyl ester. Following Lipinski's Rule of Five, 3-(2-Fluoro-phenyl)-acrylic acid 4-nitro-phenyl ester has 0 hydrogen bond donor(s) and 5 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-(2-Fluoro-phenyl)-acrylic acid 4-nitro-phenyl ester?
The CAS number of 3-(2-Fluoro-phenyl)-acrylic acid 4-nitro-phenyl ester is 1513731-17-3.
What is the molecular formula of 3-(2-Fluoro-phenyl)-acrylic acid 4-nitro-phenyl ester?
The molecular formula of 3-(2-Fluoro-phenyl)-acrylic acid 4-nitro-phenyl ester is C15H10FNO4.
What is the molecular weight of 3-(2-Fluoro-phenyl)-acrylic acid 4-nitro-phenyl ester?
The molecular weight of 3-(2-Fluoro-phenyl)-acrylic acid 4-nitro-phenyl ester is 287.0594 g/mol.
Where can I buy 3-(2-Fluoro-phenyl)-acrylic acid 4-nitro-phenyl ester?
You can request a quote for 3-(2-Fluoro-phenyl)-acrylic acid 4-nitro-phenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Fluoro-phenyl)-acrylic acid 4-nitro-phenyl ester?
Yes, CoreyChem provides custom synthesis services for 3-(2-Fluoro-phenyl)-acrylic acid 4-nitro-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.