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 260.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C9H5Cl2NO4 |
|---|---|
| Molecular Weight | 260.96 g/mol |
| LogP | 2.672 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.95956 |
| Heavy Atoms | 16 |
| Complexity | 484.6425 |
Chemical Identifiers
| CAS Number | 111870-29-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1/C=C/[N+](=O)[O-])O)C(=O)Cl)Cl |
Product Overview
5-Chloro-2-hydroxy-3-((E)-2-nitroethenyl)benzoyl chloride (CAS 111870-29-2), with molecular formula C9H5Cl2NO4 and molecular weight 260.96 g/mol. IUPAC: 5-chloro-2-hydroxy-3-[(E)-2-nitroethenyl]benzoyl chloride.
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 2.672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-hydroxy-3-((E)-2-nitroethenyl)benzoyl chloride. The TPSA of 80.44 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
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 260.96 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-hydroxy-3-((E)-2-nitroethenyl)benzoyl chloride?
Yes, KEHONG BIO 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.