2-[3-(trifluoromethyl)phenyl]sulfanylbenzoic acid
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![2-[3-(trifluoromethyl)phenyl]sulfanylbenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e8d4a9ce62b440c9920c5f414ec987b9.png "2-[3-(trifluoromethyl)phenyl]sulfanylbenzoic acid")
2-[3-(trifluoromethyl)phenyl]sulfanylbenzoic acid
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CAS No:
16174-88-2
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Formula:
C14H9F3O2S
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Chemical Name:
2-[3-(trifluoromethyl)phenyl]sulfanylbenzoic acid
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Synonyms:
2-[3-(trifluoromethyl)phenyl]sulfanylbenzoic acid;16174-88-2;Benzoic acid, 2-((3-(trifluoromethyl)phenyl)thio)- (9CI);BRN 2662521;2-((3-(Trifluoromethyl)phenyl)thio)benzoic acid;o-((alpha,alpha,alpha-Trifluoro-m-tolyl)thio)benzoic acid;SCHEMBL8533504;CHEMBL3277067;DTXSID70167230;ZINC161509;BENZOIC ACID, o-((alpha,alpha,alpha-TRIFLUORO-m-TOLYL)THIO)-;MCULE-5761370793;2-[(3-Trifluoromethylphenyl)thio]benzoic acid;Benzoic acid, 2-((3-(trifluoromethyl)phenyl)thio)-(9CI)
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CAS No:
2-[3-(trifluoromethyl)phenyl]sulfanylbenzoic acid Basic Attributes
298.28 g/mol
298.02753519 g/mol
DTXSID70167230
Computed Properties
Molecular Weight:298.28
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:298.02753519
Monoisotopic Mass:298.02753519
Topological Polar Surface Area:62.6
Heavy Atom Count:20
Complexity:346
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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