Vitas-M small molecule compound

4-hydroxy-3,5-dinitrobenzoic acid

Catalog ID
STK370820
SMILES [O-][N+](=O)c1cc(cc(c1O)[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 C7H4N2O7 MW 228.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H4N2O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H,(H,11,12)
InChIKey
GBSWIDSKAJFWMF-UHFFFAOYSA-N
Synonyms
1019-52-9
(O)(N+)(=O)c1cc(cc(c1O)(N+)(=O)(O))C(=O)O
1019529
35DINITRO4HYDROXYBENZOICACID
4hydroxy35dinitrobenzoicacid
BENZOICACID4HYDROXY35DINITRO
C1=C(C=C(C(=C1(N+)(=O)(O))O)(N+)(=O)(O))C(=O)O
InChI=1SC7H4N2O7c1064(8(13)14)13(7(11)12)25(6)9(15)16h1210H(H1112)
MFCD00017000
ZINC000002004507
ZINC2004507

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Available files

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