4'-(Methylsulfonyl)-[1,1'-biphenyl]-2-carboxylic acid

Base Information

• Chemical Name: 4'-(Methylsulfonyl)-[1,1'-biphenyl]-2-carboxylic acid
• CAS No.: 893736-90-8
• Molecular Formula: C14H12O4S
• Molecular Weight: 276.31
• Hs Code.: 2916399090
• ChEMBL ID: CHEMBL3437895
• DSSTox Substance ID: DTXSID10602498
• Wikidata: Q82499601
• Mol file: 893736-90-8.mol

Synonyms:893736-90-8;4'-(Methylsulfonyl)-[1,1'-biphenyl]-2-carboxylic acid;4'-(Methylsulfonyl)[1,1'-biphenyl]-2-carboxylic acid;2-(4-methylsulfonylphenyl)benzoic acid;4'-Methanesulfonyl-biphenyl-2-carboxylic acid;SCHEMBL6789830;CHEMBL3437895;DTXSID10602498;OEXWRSFMFJAAHT-UHFFFAOYSA-N;AKOS004118645;DS-5814;AM807791;DB-331976;CS-0150144;O11093;A849049;4'-methylsulfonyl-1,1'-biphenyl-2-carboxylic acid;4'-(Methanesulfonyl)[1,1'-biphenyl]-2-carboxylic acid;4'-(Methylsulfonyl)-[1,1'-biphenyl]-2-carboxylicacid

Chemical Property of 4'-(Methylsulfonyl)-[1,1'-biphenyl]-2-carboxylic acid

Chemical Property:

• Boiling Point: 490.3±37.0 °C(Predicted)
• PKA: 3?+-.0.36(Predicted)
• PSA: 79.82000
• Density: 1.321±0.06 g/cm3(Predicted)
• LogP: 3.53610
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 276.04563003
• Heavy Atom Count: 19
• Complexity: 415

Purity/Quality:

99% ^*data from raw suppliers

4'-(Methylsulfonyl)-[1,1'-biphenyl]-2-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2C(=O)O