Vitas-M small molecule compound
3-chloro-4-methoxy-5-nitrobenzoic acid
Catalog ID
STK398960
SMILES COc1c(Cl)cc(cc1[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 C8H6ClNO5 MW 231.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H6ClNO5/c1-15-7-5(9)2-4(8(11)12)3-6(7)10(13)14/h2-3H,1H3,(H,11,12)InChIKey
JBNVBQAUVQINSS-UHFFFAOYSA-NSynonyms
954818-73-63chloro4methoxy5nitrobenzoicacid
954818736
COC1=C(C=C(C=C1Cl)C(=O)O)(N+)(=O)(O)
COc1c(Cl)cc(cc1(N+)(=O)(O))C(=O)O
InChI=1SC8H6ClNO5c11575(9)24(8(11)12)36(7)10(13)14h23H1H3(H1112)
MFCD09754327
ZINC000020227886
ZINC20227886
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