Vitas-M small molecule compound

5-(2-chlorophenyl)cyclohexane-1,3-dione

Catalog ID
STK392614
SMILES O=C1CC(=O)CC(C1)c1ccccc1Cl

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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 C12H11ClO2 MW 222.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11ClO2/c13-12-4-2-1-3-11(12)8-5-9(14)7-10(15)6-8/h1-4,8H,5-7H2
InChIKey
BPFBAVBCEHCMFU-UHFFFAOYSA-N
Synonyms
55579-68-5
13CYCLOHEXANEDIONE5(2CHLOROPHENYL)
13DIOXO5(OCHLOROPHENYL)CYCLOHEXANE
2(35DIOXOCYCLOHEX1YL)CHLOROBENZENE
5(2CHLOROPHENYL)13CYCLOHEXANEDIONE
5(2CHLOROPHENYL)CYCLOHEXANE13DIONE
55579685
C1C(CC(=O)CC1=O)C2=CC=CC=C2Cl
InChI=1SC12H11ClO2c1312421311(12)859(14)710(15)68h148H57H2
MFCD02067868
ZINC000004112869
ZINC04112869
ZINC4112869

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Available files

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