methyl 4-methylsulfanyl-3-nitrobenzoate
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methyl 4-methylsulfanyl-3-nitrobenzoate
structure -
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CAS No:
51919-71-2
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Formula:
C9H9NO4S
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Chemical Name:
methyl 4-methylsulfanyl-3-nitrobenzoate
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Synonyms:
4-methylsulfanyl-3-nitro-benzoic acid methyl ester; methyl 4-methylthio-3-nitrobenzoate; methyl 4-(methylsulfanyl)-3-nitrobenzenecarboxylate; 4-Methylmercapto-3-nitro-benzoesaeure-methylester;
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CAS No:
methyl 4-methylsulfanyl-3-nitrobenzoate Basic Attributes
227.23700
227.02522894
DTXSID30611224
2930909090
Computed Properties
Molecular Weight:227.24
XLogP3:2.1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:227.02522894
Monoisotopic Mass:227.02522894
Topological Polar Surface Area:97.4
Heavy Atom Count:15
Complexity:253
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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