4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid
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![4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/507d9010f0a141b689d418a82d4d054e.png "4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid")
4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid
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CAS No:
110046-26-9
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Formula:
C14H11NO4S
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Chemical Name:
4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid
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Synonyms:
NSC635240;4-{[(4-nitrophenyl)sulfanyl]methyl}benzoic acid;4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid;DTXSID80911463;NSC-635240;110046-26-9;4-(((4-(Hydroxy(oxido)amino)phenyl)thio)methyl)benzoic acid
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CAS No:
4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid Basic Attributes
289.31 g/mol
289.04087901 g/mol
635240
Computed Properties
Molecular Weight:289.31
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:289.04087901
Monoisotopic Mass:289.04087901
Topological Polar Surface Area:108
Heavy Atom Count:20
Complexity:342
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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