| Identification | Back Directory | [Name]
Pyridine, 2,5-dichloro-3-[5-(3,4-dimethoxy-5-nitrophenyl)-1,2,4-oxadiazol-3-yl]-4,6-dimethyl-, 1-oxide | [CAS]
2356241-51-3 | [Synonyms]
Opicapone Impurity 30
Pyridine, 2,5-dichloro-3-[5-(3,4-dimethoxy-5-nitrophenyl)-1,2,4-oxadiazol-3-yl]-4,6-dimethyl-, 1-oxide | [Molecular Formula]
C17H14Cl2N4O6 | [MOL File]
2356241-51-3.mol | [Molecular Weight]
441.22 |
| Chemical Properties | Back Directory | [Boiling point ]
699.5±65.0 °C(Predicted) | [density ]
1.58±0.1 g/cm3(Predicted) | [pka]
-2.13±0.10(Predicted) | [InChI]
InChI=1S/C17H14Cl2N4O6/c1-7-12(15(19)22(24)8(2)13(7)18)16-20-17(29-21-16)9-5-10(23(25)26)14(28-4)11(6-9)27-3/h5-6H,1-4H3 | [InChIKey]
QCNUANXRCKOTJH-UHFFFAOYSA-N | [SMILES]
C1(Cl)[N+]([O-])=C(C)C(Cl)=C(C)C=1C1N=C(C2=CC([N+]([O-])=O)=C(OC)C(OC)=C2)ON=1 |
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