Vitas-M small molecule compound

2-iodo-3-nitrobenzoic acid

Catalog ID
STL168506
SMILES OC(=O)c1cccc(c1I)[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 C7H4INO4 MW 293.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H4INO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11)
InChIKey
XWOGTRRVKVPJSP-UHFFFAOYSA-N
Synonyms
5398-69-6
2iodo3nitrobenzoicacid
5398696
BENZOICACID2IODO3NITRO
C1=CC(=C(C(=C1)(N+)(=O)(O))I)C(=O)O
InChI=1SC7H4INO4c864(7(10)11)2135(6)9(12)13h13H(H1011)
MFCD00277941
OC(=O)c1cccc(c1I)(N+)(=O)(O)
ZINC000000163345
ZINC163345

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Available files

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