2-[3-(trifluoromethyl)phenyl]sulfinylbenzoic acid
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![2-[3-(trifluoromethyl)phenyl]sulfinylbenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/582f567b242247c7b7a8a8de8402eee4.png "2-[3-(trifluoromethyl)phenyl]sulfinylbenzoic acid")
2-[3-(trifluoromethyl)phenyl]sulfinylbenzoic acid
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CAS No:
58844-70-5
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Formula:
C14H9F3O3S
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Chemical Name:
2-[3-(trifluoromethyl)phenyl]sulfinylbenzoic acid
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Synonyms:
2-((3-(Trifluoromethyl)phenyl)sulfinyl)benzoic acid;58844-70-5;BRN 2154446;o-((alpha,alpha,alpha-Trifluoro-m-tolyl)sulfinyl)benzoic acid;CHEMBL3277072;DTXSID40974352;Benzoic acid, 2-((3-(trifluoromethyl)phenyl)sulfinyl)- (9CI);BENZOIC ACID, o-((alpha,alpha,alpha-TRIFLUORO-m-TOLYL)SULFINYL)-;2-[(3-Trifluoromethylphenyl)sulfinyl]benzoic acid;2-[3-(Trifluoromethyl)benzene-1-sulfinyl]benzoic acid
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CAS No:
Computed Properties
Molecular Weight:314.28
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:314.02244980
Monoisotopic Mass:314.02244980
Topological Polar Surface Area:73.6
Heavy Atom Count:21
Complexity:411
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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