Vitas-M small molecule compound

bis(4-chloro-3,5-dinitrophenyl)methanone

Catalog ID
STK670151
SMILES O=C(c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])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 C13H4Cl2N4O9 MW 431.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H4Cl2N4O9/c14-11-7(16(21)22)1-5(2-8(11)17(23)24)13(20)6-3-9(18(25)26)12(15)10(4-6)19(27)28/h1-4H
InChIKey
WTXLNOWMVTWOHF-UHFFFAOYSA-N
Synonyms

BIS(4CHLORO35DINITROPHENYL)METHANONE
C1=C(C=C(C(=C1(N+)(=O)(O))Cl)(N+)(=O)(O))C(=O)C2=CC(=C(C(=C2)(N+)(=O)(O))Cl)(N+)(=O)(O)
DI4CHLORO35DINITROPHENYLKETONE
InChI=1SC13H4Cl2N4O9c14117(16(21)22)15(28(11)17(23)24)13(20)639(18(25)26)12(15)10(46)19(27)28h14H
MFCD00625764
O=C(c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))Cl)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))Cl
ZINC000100036038
ZINC100036038

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Available files

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