5-Chloro-2-hydroxy-3-(2-nitroethenyl)benzoic acid
TL;DR: 5-Chloro-2-hydroxy-3-(2-nitroethenyl)benzoic acid (CAS 111870-28-1) is a chemical compound with molecular formula C9H6ClNO5 and molecular weight 242.99345 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-2-hydroxy-3-(2-nitroethenyl)benzoic acid
Also Known As: Benzoicacid, 5-chloro-2-hydroxy-3-(2-nitroethenyl)-, 5-chloro-2-hydroxy-3-(2-nitroethenyl)benzoic acid, 5-Chloro-2-hydroxy-3-((E)-2-nitroethenyl)benzoic acid
Technical Specifications
| Molecular Formula | C9H6ClNO5 |
| Molecular Weight | 242.99345 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.99345 Da |
| Heavy Atoms | 16 |
| Complexity | 314.0 |
| SMILES | C1=C(C=C(C(=C1C=C[N+](=O)[O-])O)C(=O)O)Cl |
| InChIKey | YGPTYDDNIZOMFL-UHFFFAOYSA-N |
Chemical Property Profile of 5-Chloro-2-hydroxy-3-(2-nitroethenyl)benzoic acid
Property Insights of 5-Chloro-2-hydroxy-3-(2-nitroethenyl)benzoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-hydroxy-3-(2-nitroethenyl)benzoic acid. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-2-hydroxy-3-(2-nitroethenyl)benzoic acid. Following Lipinski's Rule of Five, 5-Chloro-2-hydroxy-3-(2-nitroethenyl)benzoic acid has 2 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 5-Chloro-2-hydroxy-3-(2-nitroethenyl)benzoic acid?
The CAS number of 5-Chloro-2-hydroxy-3-(2-nitroethenyl)benzoic acid is 111870-28-1.
What is the molecular formula of 5-Chloro-2-hydroxy-3-(2-nitroethenyl)benzoic acid?
The molecular formula of 5-Chloro-2-hydroxy-3-(2-nitroethenyl)benzoic acid is C9H6ClNO5.
What is the molecular weight of 5-Chloro-2-hydroxy-3-(2-nitroethenyl)benzoic acid?
The molecular weight of 5-Chloro-2-hydroxy-3-(2-nitroethenyl)benzoic acid is 242.99345 g/mol.
Where can I buy 5-Chloro-2-hydroxy-3-(2-nitroethenyl)benzoic acid?
You can request a quote for 5-Chloro-2-hydroxy-3-(2-nitroethenyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Chloro-2-hydroxy-3-(2-nitroethenyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 5-Chloro-2-hydroxy-3-(2-nitroethenyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.