Vitas-M small molecule compound
2-methyl-3,5-dinitrobenzoic acid
Catalog ID
STK377134
SMILES [O-][N+](=O)c1cc(C(=O)O)c(c(c1)[N+](=O)[O-])C
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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 C8H6N2O6 MW 226.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H6N2O6/c1-4-6(8(11)12)2-5(9(13)14)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)InChIKey
CDVNZMKTJIBBBV-UHFFFAOYSA-NSynonyms
28169-46-2(O)(N+)(=O)c1cc(C(=O)O)c(c(c1)(N+)(=O)(O))C
28169462
2methyl35dinitrobenzoicacid
35DINITRO2METHYLBENZOICACID
35DINITROOTOLUICACID
35DINITROTOLUICACID
BENZOICACID2METHYL35DINITRO
CC1=C(C=C(C=C1C(=O)O)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC8H6N2O6c146(8(11)12)25(9(13)14)37(4)10(15)16h23H1H3(H1112)
MFCD00007161
OTOLUICACID35DINITRO
OTOLUICACID5DINITRO
ZINC000001673682
ZINC1673682
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