4-Chloro-2-cyanobenzoic acid
TL;DR: 4-Chloro-2-cyanobenzoic acid (CAS 887589-57-3) is a chemical compound with molecular formula C8H4ClNO2 and molecular weight 180.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-cyanobenzoic acid
Also Known As: 4-chloro-2-cyanobenzoic acid, 4-chloro-2-cyanobenzoicacid, 4-chloro-2-cyano-benzoic Acid
| Molecular Formula | C8H4ClNO2 |
|---|---|
| Molecular Weight | 180.99 g/mol |
| LogP | 1.90988 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.99306 |
| Heavy Atoms | 12 |
| Complexity | 367.81088 |
Chemical Identifiers
| CAS Number | 887589-57-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)C#N)C(=O)O |
Product Overview
4-Chloro-2-cyanobenzoic acid (CAS 887589-57-3), with molecular formula C8H4ClNO2 and molecular weight 180.99 g/mol. IUPAC: 4-chloro-2-cyanobenzoic acid.
Chemical Property Profile of 4-Chloro-2-cyanobenzoic acid
Property Insights of 4-Chloro-2-cyanobenzoic acid
The XLogP value of 1.90988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-cyanobenzoic acid. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2-cyanobenzoic acid. Following Lipinski's Rule of Five, 4-Chloro-2-cyanobenzoic acid has 1 hydrogen bond donor(s) and 2 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 4-Chloro-2-cyanobenzoic acid?
The CAS number of 4-Chloro-2-cyanobenzoic acid is 887589-57-3.
What is the molecular formula of 4-Chloro-2-cyanobenzoic acid?
The molecular formula of 4-Chloro-2-cyanobenzoic acid is C8H4ClNO2.
What is the molecular weight of 4-Chloro-2-cyanobenzoic acid?
The molecular weight of 4-Chloro-2-cyanobenzoic acid is 180.99 g/mol.
Where can I buy 4-Chloro-2-cyanobenzoic acid?
You can request a quote for 4-Chloro-2-cyanobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-cyanobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-cyanobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.