Vitas-M small molecule compound

1-(4-isocyanatophenyl)ethanone

Catalog ID
STK502562
SMILES O=C=Nc1ccc(cc1)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 C9H7NO2 MW 161.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H7NO2/c1-7(12)8-2-4-9(5-3-8)10-6-11/h2-5H,1H3
InChIKey
MOZSVHZOUDIZMF-UHFFFAOYSA-N
Synonyms
49647-20-3
(4ACETYL)PHENYLISOCYANATE
1(4ISOCYANATOPHENYL)ETHAN1ONE
1(4ISOCYANATOPHENYL)ETHANONE
49647203
4ACETYLBENZENISOCYANATE
4ACETYLPHENYLISOCYANATE
4ISOCYANATOACETOPHENONE
CC(=O)C1=CC=C(C=C1)N=C=O
ETHANONE1(4ISOCYANATOPHENYL)
InChI=1SC9H7NO2c17(12)8249(538)10611h25H1H3
MFCD00013879
ZINC000001756749
ZINC01756749
ZINC1756749

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Available files

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