methyl 2-(cyanomethylsulfanyl)benzoate
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methyl 2-(cyanomethylsulfanyl)benzoate
structure -
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CAS No:
57601-89-5
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Formula:
C10H9NO2S
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Chemical Name:
methyl 2-(cyanomethylsulfanyl)benzoate
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Synonyms:
Methyl 2-[(Cyanomethyl)thio]benzoate; HMS554M15; 2-(2-carbomethoxyphenylthio)acetonitrile;
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CAS No:
methyl 2-(cyanomethylsulfanyl)benzoate Basic Attributes
207.24900
207.03539970
DTXSID00380915
2930909090
Computed Properties
Molecular Weight:207.25
XLogP3:2.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:207.03539970
Monoisotopic Mass:207.03539970
Topological Polar Surface Area:75.4
Heavy Atom Count:14
Complexity:246
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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