Vitas-M small molecule compound
4-methyl-3-nitrobenzonitrile
Catalog ID
STL367706
SMILES N#Cc1ccc(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 C8H6N2O2 MW 162.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H6N2O2/c1-6-2-3-7(5-9)4-8(6)10(11)12/h2-4H,1H3InChIKey
KOFBNBCOGKLUOM-UHFFFAOYSA-NSynonyms
939-79-71METHYL4CYANO2NITROBENZENE
3NITRO4METHYLBENZONITRILE
3NITROPTOLUNITRILE
4CYANO2NITROTOLUENE
4METHYL3NITROBENZENECARBONITRILE
4methyl3nitrobenzonitrile
5CYANO2METHYLNITROBENZENE
939797
BENZONITRILE4METHYL3NITRO
CC1=C(C=C(C=C1)C#N)(N+)(=O)(O)
InChI=1SC8H6N2O2c16237(59)48(6)10(11)12h24H1H3
MFCD00031482
N#Cc1ccc(c(c1)(N+)(=O)(O))C
ZINC000002571429
ZINC02571429
ZINC2571429
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