5-Chloro-2-hydroxy-3-((E)-2-nitroethenyl)benzoyl chloride
TL;DR: 5-Chloro-2-hydroxy-3-((E)-2-nitroethenyl)benzoyl chloride (CAS 111870-29-2) is a chemical compound with molecular formula C9H5Cl2NO4 and molecular weight 260.95956 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-2-hydroxy-3-[(E)-2-nitroethenyl]benzoyl chloride
Also Known As: 5-Chloro-2-hydroxy-3-((E)-2-nitroethenyl)benzoyl chloride, 5-chloro-2-hydroxy-3-[(E)-2-nitroethenyl]benzoyl Chloride
Technical Specifications
| Molecular Formula | C9H5Cl2NO4 |
| Molecular Weight | 260.95956 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.95956 Da |
| Heavy Atoms | 16 |
| Complexity | 315.0 |
| SMILES | C1=C(C=C(C(=C1/C=C/[N+](=O)[O-])O)C(=O)Cl)Cl |
| InChIKey | SSJBVVVOOUHFBV-OWOJBTEDSA-N |
Chemical Property Profile of 5-Chloro-2-hydroxy-3-((E)-2-nitroethenyl)benzoyl chloride
Property Insights of 5-Chloro-2-hydroxy-3-((E)-2-nitroethenyl)benzoyl chloride
The XLogP value of 3.5 indicates that 5-Chloro-2-hydroxy-3-((E)-2-nitroethenyl)benzoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-2-hydroxy-3-((E)-2-nitroethenyl)benzoyl chloride. Following Lipinski's Rule of Five, 5-Chloro-2-hydroxy-3-((E)-2-nitroethenyl)benzoyl chloride 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 5-Chloro-2-hydroxy-3-((E)-2-nitroethenyl)benzoyl chloride?
The CAS number of 5-Chloro-2-hydroxy-3-((E)-2-nitroethenyl)benzoyl chloride is 111870-29-2.
What is the molecular formula of 5-Chloro-2-hydroxy-3-((E)-2-nitroethenyl)benzoyl chloride?
The molecular formula of 5-Chloro-2-hydroxy-3-((E)-2-nitroethenyl)benzoyl chloride is C9H5Cl2NO4.
What is the molecular weight of 5-Chloro-2-hydroxy-3-((E)-2-nitroethenyl)benzoyl chloride?
The molecular weight of 5-Chloro-2-hydroxy-3-((E)-2-nitroethenyl)benzoyl chloride is 260.95956 g/mol.
Where can I buy 5-Chloro-2-hydroxy-3-((E)-2-nitroethenyl)benzoyl chloride?
You can request a quote for 5-Chloro-2-hydroxy-3-((E)-2-nitroethenyl)benzoyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Chloro-2-hydroxy-3-((E)-2-nitroethenyl)benzoyl chloride?
Yes, CoreyChem provides custom synthesis services for 5-Chloro-2-hydroxy-3-((E)-2-nitroethenyl)benzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.