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4-CHLORO-3-CHLOROSULFONYL-5-NITROBENZOIC ACID Structure

4-CHLORO-3-CHLOROSULFONYL-5-NITROBENZOIC ACID

Chemical Properties

Melting point 193-194 °C (decomp)
Boiling point 495.0±45.0 °C(Predicted)
Density  1.847±0.06 g/cm3(Predicted)
storage temp.  2-8°C
pka 2.15±0.10(Predicted)
InChI InChI=1S/C7H3Cl2NO6S/c8-6-4(10(13)14)1-3(7(11)12)2-5(6)17(9,15)16/h1-2H,(H,11,12)
InChIKey AFRAGFLBINOHDV-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC([N+]([O-])=O)=C(Cl)C(S(Cl)(=O)=O)=C1
CAS DataBase Reference 22892-95-1(CAS DataBase Reference)

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