2-Chloro-5-nitrocinnamic Acid
TL;DR: 2-Chloro-5-nitrocinnamic Acid (CAS 156590-20-4) is a chemical compound with molecular formula C9H6ClNO4 and molecular weight 226.99854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(2-chloro-5-nitrophenyl)prop-2-enoic acid
Also Known As: 2-Chloro-5-nitrocinnamic acid, 3-(2-Chloro-5-nitrophenyl)acrylic acid, 5-Nitro-2-chlorocinnamic acid, 2-CHLORO-5-NITROCINNAMICACID, 3-(2-chloro-5-nitrophenyl)prop-2-enoic acid
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H6ClNO4 |
| Molecular Weight | 226.99854 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.99854 Da |
| Heavy Atoms | 15 |
| Complexity | 286.0 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])/C=C/C(=O)O)Cl |
| InChIKey | IHTLKLSRRSWIGD-DAFODLJHSA-N |
Chemical Property Profile of 2-Chloro-5-nitrocinnamic Acid
Property Insights of 2-Chloro-5-nitrocinnamic Acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5-nitrocinnamic Acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-5-nitrocinnamic Acid. Following Lipinski's Rule of Five, 2-Chloro-5-nitrocinnamic Acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Chloro-5-nitrocinnamic Acid?
The CAS number of 2-Chloro-5-nitrocinnamic Acid is 156590-20-4.
What is the molecular formula of 2-Chloro-5-nitrocinnamic Acid?
The molecular formula of 2-Chloro-5-nitrocinnamic Acid is C9H6ClNO4.
What is the molecular weight of 2-Chloro-5-nitrocinnamic Acid?
The molecular weight of 2-Chloro-5-nitrocinnamic Acid is 226.99854 g/mol.
Where can I buy 2-Chloro-5-nitrocinnamic Acid?
You can request a quote for 2-Chloro-5-nitrocinnamic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-5-nitrocinnamic Acid?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-5-nitrocinnamic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.