Vitas-M small molecule compound

6-nitro-1,3-benzodioxole-5-carbonitrile

Catalog ID
STK787116
SMILES N#Cc1cc2OCOc2cc1[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 C8H4N2O4 MW 192.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H4N2O4/c9-3-5-1-7-8(14-4-13-7)2-6(5)10(11)12/h1-2H,4H2
InChIKey
VNGWPNXSSADQKK-UHFFFAOYSA-N
Synonyms
52805-38-6
45METHYLENEDIOXY2NITROBENZONITRILE
52805386
6nitro13benzodioxole5carbonitrile
6NITRO2HBENZO(D)13DIOXOLANE5CARBONITRILE
C1OC2=C(O1)C=C(C(=C2)C#N)(N+)(=O)(O)
InChI=1SC8H4N2O4c935178(144137)26(5)10(11)12h12H4H2
MFCD08848236
N#Cc1cc2OCOc2cc1(N+)(=O)(O)
ZINC000012428261
ZINC12428261

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Available files

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