thionitrobenzoic acid Structure

thionitrobenzoic acid

Chemical Properties

Boiling point 419.2±40.0 °C(Predicted)
Density  1.575±0.06 g/cm3(Predicted)
pka 1.96±0.25(Predicted)
InChI InChI=1S/C7H5NO4S/c9-7(10)5-3-4(13)1-2-6(5)8(11)12/h1-3,13H,(H,9,10)
InChIKey GANZODCWZFAEGN-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC(S)=CC=C1[N+]([O-])=O
FDA UNII OWT399B07G

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