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2629316-12-5

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2629316-12-5 Structure

2629316-12-5 Structure
IdentificationBack 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 PropertiesBack 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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