2629316-12-5

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2629316-12-5 Structure

Identification	Back Directory
[Name] INDEX NAME NOT YET ASSIGNED
[CAS] 2629316-12-5
[Synonyms]
[Molecular Formula] C14H16BrN3O3
[MOL File] 2629316-12-5.mol
[Molecular Weight] 354.2

Chemical Properties	Back Directory
[density ] 1.52±0.1 g/cm3(Predicted)
[pka] 10.72±0.46(Predicted)
[InChI] InChI=1S/C14H16BrN3O3/c1-14(2,3)21-13(20)16-7-11-10-6-8(15)4-5-9(10)12(19)18-17-11/h4-6H,7H2,1-3H3,(H,16,20)(H,18,19)
[InChIKey] PMGDPPVETPIDBN-UHFFFAOYSA-N
[SMILES] C(C1=NNC(=O)C2=CC=C(Br)C=C12)NC(=O)OC(C)(C)C

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