Vitas-M small molecule compound

4,4'-dinitrobiphenyl-2-carboxylic acid

Catalog ID
STK291004
SMILES OC(=O)c1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=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 C13H8N2O6 MW 288.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H8N2O6/c16-13(17)12-7-10(15(20)21)5-6-11(12)8-1-3-9(4-2-8)14(18)19/h1-7H,(H,16,17)
InChIKey
HTRVKZZTRSRPKI-UHFFFAOYSA-N
Synonyms
70663-79-5
44dinitrobiphenyl2carboxylicacid
5nitro2(4nitrophenyl)benzoicacid
70663795
C1=CC(=CC=C1C2=C(C=C(C=C2)(N+)(=O)(O))C(=O)O)(N+)(=O)(O)
InChI=1SC13H8N2O6c1613(17)12710(15(20)21)5611(12)8139(428)14(18)19h17H(H1617)
MFCD00417703
OC(=O)c1cc(ccc1c1ccc(cc1)(N+)(=O)(O))(N+)(=O)(O)
ZINC000009592202
ZINC9592202

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Available files

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