Vitas-M small molecule compound

(2-iodo-6-nitrophenyl)acetonitrile

Catalog ID
STL406269
SMILES N#CCc1c(I)cccc1[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 C8H5IN2O2 MW 288.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H5IN2O2/c9-7-2-1-3-8(11(12)13)6(7)4-5-10/h1-3H,4H2
InChIKey
TXQNXKCKXWUZQT-UHFFFAOYSA-N
Synonyms
105003-97-2
(2iodo6nitrophenyl)acetonitrile
105003972
2(2IODO6NITROPHENYL)ACETONITRILE
2(6IODO2NITROPHENYL)ETHANENITRILE
C1=CC(=C(C(=C1)I)CC#N)(N+)(=O)(O)
InChI=1SC8H5IN2O2c972138(11(12)13)6(7)4510h13H4H2
MFCD03158662
N#CCc1c(I)cccc1(N+)(=O)(O)
ZINC000000116082
ZINC00116082
ZINC116082

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Available files

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