4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid
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![4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/618b8d5354e044dc952b75239ad849c9.png "4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid")
4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid
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CAS No:
686313-37-1
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Formula:
C16H14FNO3S
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Chemical Name:
4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid
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Synonyms:
4-({[N-(4-fluorophenyl)carbamoyl]methylthio}methyl)benzoic acid;4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid;ZINC2887350;MFCD06638118;SBB015937;AKOS000273426;MCULE-6757159295;ST50200704;4-[({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)methyl]benzoic acid;4-[({2-[(4-Fluorophenyl)amino]-2-oxoethyl}thio)methyl]benzoic acid;686313-37-1
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CAS No:
4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid Basic Attributes
319.4 g/mol
319.06784264 g/mol
Computed Properties
Molecular Weight:319.4
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:319.06784264
Monoisotopic Mass:319.06784264
Topological Polar Surface Area:91.7
Heavy Atom Count:22
Complexity:378
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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