Vitas-M small molecule compound

2-(acetyloxy)-5-chloro-3-nitrobenzoic acid

Catalog ID
STK366890
SMILES CC(=O)Oc1c(cc(cc1[N+](=O)[O-])Cl)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 C9H6ClNO6 MW 259.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H6ClNO6/c1-4(12)17-8-6(9(13)14)2-5(10)3-7(8)11(15)16/h2-3H,1H3,(H,13,14)
InChIKey
BRXSQDQXBBSUSN-UHFFFAOYSA-N
Synonyms
292855-85-7
2(acetyloxy)5chloro3nitrobenzoicacid
292855857
2ACETYLOXY5CHLORO3NITROBENZOICACID
CC(=O)OC1=C(C=C(C=C1C(=O)O)Cl)(N+)(=O)(O)
CC(=O)Oc1c(cc(cc1(N+)(=O)(O))Cl)C(=O)O
InChI=1SC9H6ClNO6c14(12)1786(9(13)14)25(10)37(8)11(15)16h23H1H3(H1314)
MFCD00443705
ZINC000003159903
ZINC3159903

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Available files

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