Vitas-M small molecule compound

4,4,4-trichloro-3-hydroxy-1-(4-nitrophenyl)butan-1-one

Catalog ID
STK367206
SMILES OC(C(Cl)(Cl)Cl)CC(=O)c1ccc(cc1)[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 C10H8Cl3NO4 MW 312.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H8Cl3NO4/c11-10(12,13)9(16)5-8(15)6-1-3-7(4-2-6)14(17)18/h1-4,9,16H,5H2
InChIKey
QDCBBMRUVZXVHD-UHFFFAOYSA-N
Synonyms
254732-53-1
254732531
444trichloro3hydroxy1(4nitrophenyl)butan1one
BETAHYDROXYGAMMAGAMMAGAMMATRICHLORO4NITROBUTYROPHENONE
C1=CC(=CC=C1C(=O)CC(C(Cl)(Cl)Cl)O)(N+)(=O)(O)
InChI=1SC10H8Cl3NO4c1110(1213)9(16)58(15)6137(426)14(17)18h14916H5H2
MFCD00275235
OC(C(Cl)(Cl)Cl)CC(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000000158120
ZINC000000158121

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Available files

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