2-(2-Chloro-5-nitrophenyl)acetic acid
TL;DR: 2-(2-Chloro-5-nitrophenyl)acetic acid (CAS 64046-47-5) is a chemical compound with molecular formula C8H6ClNO4 and molecular weight 215.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-5-nitrophenyl)acetic acid
Also Known As: 2-(2-chloro-5-nitrophenyl)acetic acid, (2-chloro-5-nitrophenyl)acetic acid, 2-Chloro-5-nitrobenzeneacetic acid, 2-Chloro-5-nitrophenyl=acetate, {2-chloro-5-nitrophenyl}acetic acid
| Molecular Formula | C8H6ClNO4 |
|---|---|
| Molecular Weight | 215.00 g/mol |
| LogP | 1.8753 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.99854 |
| Heavy Atoms | 14 |
| Complexity | 390.9277 |
Chemical Identifiers
| CAS Number | 64046-47-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])CC(=O)O)Cl |
Product Overview
2-(2-Chloro-5-nitrophenyl)acetic acid (CAS 64046-47-5), with molecular formula C8H6ClNO4 and molecular weight 215.00 g/mol. IUPAC: 2-(2-chloro-5-nitrophenyl)acetic acid.
Chemical Property Profile of 2-(2-Chloro-5-nitrophenyl)acetic acid
Property Insights of 2-(2-Chloro-5-nitrophenyl)acetic acid
The XLogP value of 1.8753 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Chloro-5-nitrophenyl)acetic acid. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Chloro-5-nitrophenyl)acetic acid. Following Lipinski's Rule of Five, 2-(2-Chloro-5-nitrophenyl)acetic acid has 1 hydrogen bond donor(s) and 3 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-(2-Chloro-5-nitrophenyl)acetic acid?
The CAS number of 2-(2-Chloro-5-nitrophenyl)acetic acid is 64046-47-5.
What is the molecular formula of 2-(2-Chloro-5-nitrophenyl)acetic acid?
The molecular formula of 2-(2-Chloro-5-nitrophenyl)acetic acid is C8H6ClNO4.
What is the molecular weight of 2-(2-Chloro-5-nitrophenyl)acetic acid?
The molecular weight of 2-(2-Chloro-5-nitrophenyl)acetic acid is 215.00 g/mol.
Where can I buy 2-(2-Chloro-5-nitrophenyl)acetic acid?
You can request a quote for 2-(2-Chloro-5-nitrophenyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chloro-5-nitrophenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chloro-5-nitrophenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.