Vitas-M small molecule compound

4-amino-3,5-dinitrobenzoic acid

Catalog ID
STK365752
SMILES [O-][N+](=O)c1cc(cc(c1N)[N+](=O)[O-])C(=O)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 C7H5N3O6 MW 227.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H5N3O6/c8-6-4(9(13)14)1-3(7(11)12)2-5(6)10(15)16/h1-2H,8H2,(H,11,12)
InChIKey
RMVUGEPUWQMQPR-UHFFFAOYSA-N
Synonyms
7221-27-4
(O)(N+)(=O)c1cc(cc(c1N)(N+)(=O)(O))C(=O)O
4AMINO33DINTROBENZOICACID
4amino35dinitrobenzoicacid
7221274
BENZOICACID4AMINO35DINITRO
C1=C(C=C(C(=C1(N+)(=O)(O))N)(N+)(=O)(O))C(=O)O
InChI=1SC7H5N3O6c864(9(13)14)13(7(11)12)25(6)10(15)16h12H8H2(H1112)
MFCD00017010
ZINC000004014040
ZINC4014040

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Available files

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