Vitas-M small molecule compound

2-methyl-4-nitrobenzoic acid

Catalog ID
STK450324
SMILES OC(=O)c1ccc(cc1C)[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/c1-5-4-6(9(12)13)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey
XXXOBNJIIZQSPT-UHFFFAOYSA-N
Synonyms
1975-51-5
1975515
2CARBOXY5NITROTOLUENE
2METHYL4NITROBENZICACID
2methyl4nitrobenzoicacid
4CARBOXY3METHYLNITROBENZENE
4NITRO2METHYLBENZOICACID
4NITROOTOLUICACID
CC1=C(C=CC(=C1)(N+)(=O)(O))C(=O)O
InChI=1SC8H7NO4c1546(9(12)13)237(5)8(10)11h24H1H3(H1011)
MFCD00210697
OC(=O)c1ccc(cc1C)(N+)(=O)(O)
ZINC000001757885
ZINC1757885

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Available files

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