3-[4-Fluoro-2-(methylsulphonyl)phenoxy]benzoic acid

Base Information

• Chemical Name: 3-[4-Fluoro-2-(methylsulphonyl)phenoxy]benzoic acid
• CAS No.: 1000339-71-8
• Molecular Formula: C14H11FO5S
• Molecular Weight: 310.30
• DSSTox Substance ID: DTXSID101227987
• Mol file: 1000339-71-8.mol

Synonyms:1000339-71-8;3-[4-fluoro-2-(methylsulphonyl)phenoxy]benzoic acid;3-[(4-fluoro-2-methylsulfonyl)phenoxy]benzoic acid;3-(4-Fluoro-2-(methylsulfonyl)phenoxy)benzoic acid;3-(4-fluoro-2-methylsulfonylphenoxy)benzoic acid;3-[(4-Fluoro-4-methylsulfonyl)phenoxy]benzoic acid;3-[4-Fluoro-2-(methylsulfonyl)phenoxy]benzoic acid;3-((4-FLUORO-2-METHYLSULFONYL)PHENOXY)BENZOIC ACID;DTXSID101227987;MFCD09264548;AKOS016344263;BB 0260720;CS-0439505;3-(4-Fluoro-2-(methylsulfonyl)phenoxy)benzoicacid

Chemical Property of 3-[4-Fluoro-2-(methylsulphonyl)phenoxy]benzoic acid

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 310.03112278
• Heavy Atom Count: 21
• Complexity: 472

Purity/Quality:

98%min ^*data from raw suppliers

3-[4-Fluoro-2-(methylsulfonyl)phenoxy]benzoic acid ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CS(=O)(=O)C1=C(C=CC(=C1)F)OC2=CC=CC(=C2)C(=O)O

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