Vitas-M small molecule compound

3-(4-bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate

Catalog ID
STK668230
SMILES Brc1ccc(cc1)[n+]1noc(n1)[O-]

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C7H4BrN3O2 MW 242.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H4BrN3O2/c8-5-1-3-6(4-2-5)11-9-7(12)13-10-11/h1-4H
InChIKey
HNKGNCIIXYRYKJ-UHFFFAOYSA-N
Synonyms

3(4bromophenyl)1234oxatriazol3ium5olate
3(4BROMOPHENYL)OXATRIAZOL3IUM5OLATE
Brc1ccc(cc1)(n+)1noc(n1)(O)
C1=CC(=CC=C1(N+)2=NOC(=N2)(O))Br
InChI=1SC7H4BrN3O2c85136(425)1197(12)131011h14H
MFCD00741827
ZINC000000049847

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.