Vitas-M small molecule compound

5,5,5-trichloro-4-hydroxy-4-phenylpentan-2-one

Catalog ID
STK013440
SMILES CC(=O)CC(C(Cl)(Cl)Cl)(c1ccccc1)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 C11H11Cl3O2 MW 281.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11Cl3O2/c1-8(15)7-10(16,11(12,13)14)9-5-3-2-4-6-9/h2-6,16H,7H2,1H3
InChIKey
FXZVGCVPQNJCCA-UHFFFAOYSA-N
Synonyms

555TRICHLORO4HYDROXY4PHENYLPENTAN2ONE
CC(=O)CC(C(Cl)(Cl)Cl)(c1ccccc1)O
CC(=O)CC(C1=CC=CC=C1)(C(Cl)(Cl)Cl)O
InChI=1SC11H11Cl3O2c18(15)710(1611(1213)14)9532469h2616H7H21H3
MFCD00760699
STK013440
ZINC000000438045
ZINC000000438046

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Available files

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