2-[(4-cyanophenyl)methylsulfanyl]benzoic acid
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![2-[(4-cyanophenyl)methylsulfanyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/58e5b9024a634c39a923b37506963d03.png "2-[(4-cyanophenyl)methylsulfanyl]benzoic acid")
2-[(4-cyanophenyl)methylsulfanyl]benzoic acid
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CAS No:
100961-52-2
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Formula:
C15H11NO2S
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Chemical Name:
2-[(4-cyanophenyl)methylsulfanyl]benzoic acid
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Synonyms:
Benzoic acid,2-[[(4-cyanophenyl)methyl]thio]; 2-(4-Cyan-benzylmercapto)-benzoesaeure; 2-(2-HYDROXYCARBONYL-6-PYRIDYL)MALONDIALDEHYDE; 2-(4-Cyano-benzylsulfanyl)-benzoic acid;
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CAS No:
2-[(4-cyanophenyl)methylsulfanyl]benzoic acid Basic Attributes
269.31800
269.05104977 g/mol
DTXSID60368638
2930909090
Computed Properties
Molecular Weight:269.3
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:269.05104977
Monoisotopic Mass:269.05104977
Topological Polar Surface Area:86.4
Heavy Atom Count:19
Complexity:354
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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