Vitas-M small molecule compound

2-(4-chlorophenyl)-3-oxobutanenitrile

Catalog ID
STK244807
SMILES N#CC(c1ccc(cc1)Cl)C(=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 C10H8ClNO MW 193.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H8ClNO/c1-7(13)10(6-12)8-2-4-9(11)5-3-8/h2-5,10H,1H3
InChIKey
IPBZEJZUAZXNOS-UHFFFAOYSA-N
Synonyms

2(4chlorophenyl)3oxobutanenitrile
2(4CHLOROPHENYL)3OXOBUTYRONITRILE
2ACETYL(4CHLOROPHENYL)ACETONITRILE
ACETOACETONITRILE2(PCHLOROPHENYL)
ALPHA(PCHLOROPHENYL)ACETOACETONITRILE
ALPHAACETYL4CHLOROBENZENEACETONITRILE
BENZENEACETONITRILEAACETYL4CHLORO
BENZENEACETONITRILEALPHAACETYL4CHLORO
CC(=O)C(C#N)C1=CC=C(C=C1)Cl
InChI=1SC10H8ClNOc17(13)10(612)8249(11)538h2510H1H3
MFCD01672899
ZINC000000257777
ZINC000000257778

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Available files

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