Vitas-M small molecule compound

methyl 3-nitrobenzoate

Catalog ID
STK397386
SMILES COC(=O)c1cccc(c1)[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 C8H7NO4 MW 181.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H3
InChIKey
AXLYJLKKPUICKV-UHFFFAOYSA-N
Synonyms
618-95-1
3NITROBENZOICACIDMETHYL
3NITROBENZOICACIDMETHYLESTER
3NITROBENZOICACIMETHYLESTER
618951
BENZOICACID3NITROMETHYLESTER
BENZOICACIDMNITROMETHYLESTER
BENZOICACIDMNITROMETHYLESTER(8CI)
COC(=O)C1=CC(=CC=C1)(N+)(=O)(O)
COC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC8H7NO4c1138(10)63247(56)9(11)12h25H1H3
METHYL3NITROBENZOATE
METHYLMETANITROBENZOATE
METHYLMNITROBENZOATE
MFCD00007250
MNITROBENZOICACIDMETHYLESTER
ZINC000000354552
ZINC00354552
ZINC354552

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Available files

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