2-Acetyloxy-5-chloro-3-nitrobenzoic acid
TL;DR: 2-Acetyloxy-5-chloro-3-nitrobenzoic acid (CAS 292855-85-7) is a chemical compound with molecular formula C9H6ClNO6 and molecular weight 258.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxy-5-chloro-3-nitrobenzoic acid
Also Known As: 2-acetyloxy-5-chloro-3-nitrobenzoic acid, 2-(acetyloxy)-5-chloro-3-nitrobenzoic acid, 2-acetyloxy-5-chloro-3-nitro-benzoic Acid
| Molecular Formula | C9H6ClNO6 |
|---|---|
| Molecular Weight | 258.99 g/mol |
| LogP | 1.8717 |
| Topological Polar Surface Area | 106.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.98837 |
| Heavy Atoms | 17 |
| Complexity | 477.2027 |
Chemical Identifiers
| CAS Number | 292855-85-7 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1[N+](=O)[O-])Cl)C(=O)O |
Product Overview
2-Acetyloxy-5-chloro-3-nitrobenzoic acid (CAS 292855-85-7), with molecular formula C9H6ClNO6 and molecular weight 258.99 g/mol. IUPAC: 2-acetyloxy-5-chloro-3-nitrobenzoic acid.
Chemical Property Profile of 2-Acetyloxy-5-chloro-3-nitrobenzoic acid
Property Insights of 2-Acetyloxy-5-chloro-3-nitrobenzoic acid
The XLogP value of 1.8717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyloxy-5-chloro-3-nitrobenzoic acid. The TPSA of 106.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetyloxy-5-chloro-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 2-Acetyloxy-5-chloro-3-nitrobenzoic acid has 1 hydrogen bond donor(s) and 5 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 2-Acetyloxy-5-chloro-3-nitrobenzoic acid?
The CAS number of 2-Acetyloxy-5-chloro-3-nitrobenzoic acid is 292855-85-7.
What is the molecular formula of 2-Acetyloxy-5-chloro-3-nitrobenzoic acid?
The molecular formula of 2-Acetyloxy-5-chloro-3-nitrobenzoic acid is C9H6ClNO6.
What is the molecular weight of 2-Acetyloxy-5-chloro-3-nitrobenzoic acid?
The molecular weight of 2-Acetyloxy-5-chloro-3-nitrobenzoic acid is 258.99 g/mol.
Where can I buy 2-Acetyloxy-5-chloro-3-nitrobenzoic acid?
You can request a quote for 2-Acetyloxy-5-chloro-3-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyloxy-5-chloro-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyloxy-5-chloro-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.