2-(3-cyanophenyl)benzoic Acid
TL;DR: 2-(3-cyanophenyl)benzoic Acid (CAS 107916-96-1) is a chemical compound with molecular formula C14H9NO2 and molecular weight 223.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-cyanophenyl)benzoic acid
Also Known As: 2-(3-cyanophenyl)benzoic Acid, 3'-Cyano-biphenyl-2-carboxylic acid, 2-(3-cyanophenyl)-benzoic acid, 3'-Cyan-biphenyl-2-carbonsaeure, 3'-Cyano-[1,1'-biphenyl]-2-carboxylic acid
Technical Specifications
| Molecular Formula | C14H9NO2 |
| Molecular Weight | 223.06332 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.06332 Da |
| Heavy Atoms | 17 |
| Complexity | 330.0 |
| SMILES | C1=CC=C(C(=C1)C2=CC=CC(=C2)C#N)C(=O)O |
| InChIKey | GWQJJXUNSIGDAC-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-cyanophenyl)benzoic Acid
Property Insights of 2-(3-cyanophenyl)benzoic Acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-cyanophenyl)benzoic Acid. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-cyanophenyl)benzoic Acid. Following Lipinski's Rule of Five, 2-(3-cyanophenyl)benzoic 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
What is the CAS number of 2-(3-cyanophenyl)benzoic Acid?
The CAS number of 2-(3-cyanophenyl)benzoic Acid is 107916-96-1.
What is the molecular formula of 2-(3-cyanophenyl)benzoic Acid?
The molecular formula of 2-(3-cyanophenyl)benzoic Acid is C14H9NO2.
What is the molecular weight of 2-(3-cyanophenyl)benzoic Acid?
The molecular weight of 2-(3-cyanophenyl)benzoic Acid is 223.06332 g/mol.
Where can I buy 2-(3-cyanophenyl)benzoic Acid?
You can request a quote for 2-(3-cyanophenyl)benzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-cyanophenyl)benzoic Acid?
Yes, CoreyChem provides custom synthesis services for 2-(3-cyanophenyl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.