751422-00-1

Name Benzoic acid, 3-nitro-4-phenoxy-5-sulfo-
CAS 751422-00-1
Molecular Formula C13H9NO8S
Molecular Weight 339.28
MOL File 751422-00-1.mol
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Chemical Properties

density  1.637±0.06 g/cm3(Predicted)
pka -1.79±0.48(Predicted)
InChI InChI=1S/C13H9NO8S/c15-13(16)8-6-10(14(17)18)12(11(7-8)23(19,20)21)22-9-4-2-1-3-5-9/h1-7H,(H,15,16)(H,19,20,21)
InChIKey CERYIJILBOYTKU-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC(S(O)(=O)=O)=C(OC2=CC=CC=C2)C([N+]([O-])=O)=C1

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