2-[(4-nitrophenyl)methylsulfanyl]benzoic acid
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![2-[(4-nitrophenyl)methylsulfanyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e99d9091253e45fba2319392810aa1c3.png "2-[(4-nitrophenyl)methylsulfanyl]benzoic acid")
2-[(4-nitrophenyl)methylsulfanyl]benzoic acid
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CAS No:
104060-84-6
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Formula:
C14H11NO4S
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Chemical Name:
2-[(4-nitrophenyl)methylsulfanyl]benzoic acid
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Synonyms:
2-[(4-nitrophenyl)methylsulfanyl]benzoic Acid;2-{[(4-NITROPHENYL)METHYL]SULFANYL}BENZOIC ACID;2-(4-Nitrobenzylthio)benzoic acid;ZINC5344650;AKOS000156578;MCULE-7960049766;Z55950606;104060-84-6
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CAS No:
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:350
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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