Vitas-M small molecule compound

3,4-dimethyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one

Catalog ID
STK839511
SMILES O=C1C=CC(C(=C1)C)(C)C(Cl)(Cl)Cl

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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 C9H9Cl3O MW 239.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H9Cl3O/c1-6-5-7(13)3-4-8(6,2)9(10,11)12/h3-5H,1-2H3
InChIKey
HDMAZHTXTAAUMK-UHFFFAOYSA-N
Synonyms

34dimethyl4(trichloromethyl)cyclohexa25dien1one
34dimethyl4(trichloromethyl)cyclohexa25dienone
34DIMETHYL4TRICHLOROMETHYL25CYCLOHEXADIENONE
34DIMETHYL4TRICHLOROMETHYLCYCLOHEXA25DIENONE
CC1=CC(=O)C=CC1(C)C(Cl)(Cl)Cl
InChI=1SC9H9Cl3Oc1657(13)348(62)9(1011)12h35H12H3
MFCD00540261
ZINC000002362549
ZINC000004973988

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Available files

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