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Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate Structure

Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate

Chemical Properties

Boiling point 468.1±45.0 °C(Predicted)
Density  1.265
storage temp.  2-8°C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 13.27±0.70(Predicted)
color  White
InChI InChI=1S/C13H16N2O5/c1-4-5-11(16)14-12-8(2)6-9(13(17)20-3)7-10(12)15(18)19/h6-7H,4-5H2,1-3H3,(H,14,16)
InChIKey IGCBUUTXGYCQAI-UHFFFAOYSA-N
SMILES C(OC)(=O)C1=CC([N+]([O-])=O)=C(NC(=O)CCC)C(C)=C1
CAS DataBase Reference 152628-01-8(CAS DataBase Reference)

Usage And Synthesis

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