3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid
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![3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f707e2f83b044a9f9f43b52555f84df6.png "3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid")
3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid
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CAS No:
827034-28-6
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Formula:
C19H13F3N2O2S
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Chemical Name:
3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid
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Synonyms:
3-({[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzoic acid;MLS000588581;CHEMBL1548257;HMS2521F14;ZINC2422909;STK114889;AKOS005399744;MCULE-4505245620;SMR000220026;3-(4-Phenyl-6-trifluoromethyl-pyrimidin-2-ylsulfanylmethyl)-benzoic acid;827034-28-6
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CAS No:
3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid Basic Attributes
390.4 g/mol
390.06498332 g/mol
Computed Properties
Molecular Weight:390.4
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:390.06498332
Monoisotopic Mass:390.06498332
Topological Polar Surface Area:88.4
Heavy Atom Count:27
Complexity:500
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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