3-(2,6-difluorophenyl)benzoic Acid

Base Information

• Chemical Name: 3-(2,6-difluorophenyl)benzoic Acid
• CAS No.: 656305-06-5
• Molecular Formula: C13H8F2O2
• Molecular Weight: 234.2
• ChEMBL ID: CHEMBL331526
• DSSTox Substance ID: DTXSID90460937
• Wikidata: Q82285122
• Mol file: 656305-06-5.mol

Synonyms:3-(2,6-difluorophenyl)benzoic Acid;656305-06-5;2',6'-difluorobiphenyl-3-carboxylic acid;2',6'-Difluoro-[1,1'-biphenyl]-3-carboxylic acid;SCHEMBL410739;CHEMBL331526;DTXSID90460937;MFCD11848835;AKOS013353356;AB92546;PD144572;CS-0224343;EN300-119005;2',6'-Difluoro-[1,1'-biphenyl]-3-carboxylicacid;Z1188090268

Chemical Property of 3-(2,6-difluorophenyl)benzoic Acid

Chemical Property:

• Boiling Point: 367.5±32.0 °C(Predicted)
• PKA: 3.92±0.10(Predicted)
• PSA: 37.30000
• Density: 1.333±0.06 g/cm3(Predicted)
• LogP: 3.33000
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 234.04923582
• Heavy Atom Count: 17
• Complexity: 273

Purity/Quality:

99%+ ^*data from raw suppliers

3-(2,6-Difluorophenyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(=O)O)C2=C(C=CC=C2F)F

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