3-Fluoro-4-(4-T-butylphenyl)benzoic acid

Base Information

• Chemical Name: 3-Fluoro-4-(4-T-butylphenyl)benzoic acid
• CAS No.: 1261954-92-0
• Molecular Formula: C17H17FO2
• Molecular Weight: 272.3140832
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID20681315
• Wikidata: Q82605270
• Mol file: 1261954-92-0.mol

Synonyms:1261954-92-0;3-FLUORO-4-(4-T-BUTYLPHENYL)BENZOIC ACID;4'-(tert-Butyl)-2-fluoro-[1,1'-biphenyl]-4-carboxylic acid;4-(4-tert-butylphenyl)-3-fluorobenzoic acid;4/'-(tert-Butyl)-2-fluoro-[1,1/'-biphenyl]-4-carboxylic acid;DTXSID20681315;4'-(tert-Butyl)-2-fluoro-[1,1'-biphenyl]-4-carboxylicacid;MFCD18321113;AKOS012731099;BS-20295;CS-0209183;4'-tert-Butyl-2-fluoro[1,1'-biphenyl]-4-carboxylic acid

Chemical Property of 3-Fluoro-4-(4-T-butylphenyl)benzoic acid

Chemical Property:

• Boiling Point: 385.5±30.0 °C(Predicted)
• PKA: 3.88±0.10(Predicted)
• PSA: 37.30000
• Density: 1.143±0.06 g/cm3(Predicted)
• LogP: 4.48840
• Storage Temp.: 2-8°C
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 272.12125794
• Heavy Atom Count: 20
• Complexity: 339

Purity/Quality:

99% ^*data from raw suppliers

3-Fluoro-4-(4-t-butylphenyl)benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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