3-(3-Cyanophenyl)-4-fluorobenzoic acid

Base Information

• Chemical Name: 3-(3-Cyanophenyl)-4-fluorobenzoic acid
• CAS No.: 1261977-67-6
• Molecular Formula: C14H8FNO2
• Molecular Weight: 241.22
• DSSTox Substance ID: DTXSID60688787
• Wikidata: Q82616097
• Mol file: 1261977-67-6.mol

Synonyms:1261977-67-6;3-(3-CYANOPHENYL)-4-FLUOROBENZOIC ACID;3'-Cyano-6-fluoro-[1,1'-biphenyl]-3-carboxylic acid;3/'-Cyano-6-fluoro-[1,1/'-biphenyl]-3-carboxylic acid;3'-Cyano-6-fluoro-[1,1'-biphenyl]-3-carboxylicacid;DTXSID60688787;MFCD18319125;BS-20371;A889517;3'-Cyano-6-fluoro[1,1'-biphenyl]-3-carboxylic acid

Chemical Property of 3-(3-Cyanophenyl)-4-fluorobenzoic acid

Chemical Property:

• PKA: 3.96±0.10(Predicted)
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 241.05390666
• Heavy Atom Count: 18
• Complexity: 362

Purity/Quality:

95+% ^*data from raw suppliers

3-(3-Cyanophenyl)-4-fluorobenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C2=C(C=CC(=C2)C(=O)O)F)C#N