3-(3-Chloro-2-nitrophenyl)-2-oxopropanoic acid
TL;DR: 3-(3-Chloro-2-nitrophenyl)-2-oxopropanoic acid (CAS 78014-96-7) is a chemical compound with molecular formula C9H6ClNO5 and molecular weight 242.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-2-nitrophenyl)-2-oxopropanoic acid
Also Known As: 3-(3-chloro-2-nitrophenyl)-2-oxopropanoic acid, 3-chloro-2-tolyl-hydrazine hydrochloride, 1H-IMIDAZOLE-4,5-DIMETHANAMINE, 3-(3-chloro-2-nitro-phenyl)-2-oxo-propanoic acid
| Molecular Formula | C9H6ClNO5 |
|---|---|
| Molecular Weight | 242.99 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.99345 |
| Heavy Atoms | 16 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 78014-96-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])CC(=O)C(=O)O |
| InChIKey | GOCKZCAEISJBQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3-Chloro-2-nitrophenyl)-2-oxopropanoic acid (CAS 78014-96-7), with molecular formula C9H6ClNO5 and molecular weight 242.99 g/mol. IUPAC: 3-(3-chloro-2-nitrophenyl)-2-oxopropanoic acid.
Chemical Property Profile of 3-(3-Chloro-2-nitrophenyl)-2-oxopropanoic acid
Property Insights of 3-(3-Chloro-2-nitrophenyl)-2-oxopropanoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Chloro-2-nitrophenyl)-2-oxopropanoic acid. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Chloro-2-nitrophenyl)-2-oxopropanoic acid. Following Lipinski's Rule of Five, 3-(3-Chloro-2-nitrophenyl)-2-oxopropanoic 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 3-(3-Chloro-2-nitrophenyl)-2-oxopropanoic acid?
The CAS number of 3-(3-Chloro-2-nitrophenyl)-2-oxopropanoic acid is 78014-96-7.
What is the molecular formula of 3-(3-Chloro-2-nitrophenyl)-2-oxopropanoic acid?
The molecular formula of 3-(3-Chloro-2-nitrophenyl)-2-oxopropanoic acid is C9H6ClNO5.
What is the molecular weight of 3-(3-Chloro-2-nitrophenyl)-2-oxopropanoic acid?
The molecular weight of 3-(3-Chloro-2-nitrophenyl)-2-oxopropanoic acid is 242.99 g/mol.
Where can I buy 3-(3-Chloro-2-nitrophenyl)-2-oxopropanoic acid?
You can request a quote for 3-(3-Chloro-2-nitrophenyl)-2-oxopropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Chloro-2-nitrophenyl)-2-oxopropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chloro-2-nitrophenyl)-2-oxopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.