| Identification | Back Directory | [Name]
Benzoic acid, 3-nitro-4-phenoxy-5-sulfo- | [CAS]
751422-00-1 | [Synonyms]
3-nitro-4-phenoxy-5-sulfobenzoic acid
Benzoic acid, 3-nitro-4-phenoxy-5-sulfo- | [Molecular Formula]
C13H9NO8S | [MOL File]
751422-00-1.mol | [Molecular Weight]
339.28 |
| Chemical Properties | Back Directory | [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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