chempirical

2,3-Dichloro-5,6-dicyano-1,4-benzoquinone

C8Cl2N2O2CAS 84-58-2227.00 g/mol

Open in Covalent MOL file
NNOClClO
AlkeneKetoneNitrileVinyl halide

Properties

Molecular formula
C8Cl2N2O2
Molar mass
227.00 g/mol
Exact mass
225.9337 Da
Melting point
214.5 °C
logP
1.17Crippen estimate
Polar surface area
81.7 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Identifiers

CAS number
84-58-2
SMILES
N#CC1=C(C#N)C(=O)C(Cl)=C(Cl)C1=O
InChIKey
HZNVUJQVZSTENZ-UHFFFAOYSA-N
InChI
InChI=1S/C8Cl2N2O2/c9-5-6(10)8(14)4(2-12)3(1-11)7(5)13

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Type any one amount. The others follow from the molar mass.

Names and synonyms

23 names · show all
  • 1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dichloro-3,6-dioxo-
  • 4,5-Dichloro-3,6-dioxo-1,4-cyclohexadiene-1,2-dicarbonitrile
  • DDQ (oxidizing agent)
  • 2,3-Dichloro-5,6-dicyanoquinone
  • 2,3-Dichloro-5,6-dicyanobenzoquinone
  • 2,3-Dichloro-5,6-dicyano-p-quinone
  • 2,3-Dichloro-5,6-dicyano-p-benzoquinone
  • 4,5-Dichloro-3,6-dioxo-1,2-benzenedicarbonitrile
  • Dichlorodicyanoquinone
  • Dichlorodicyanobenzoquinone
  • 2,3-Dicyano-5,6-dichloro-1,4-benzoquinone
  • 5,6-Dicyano-2,3-dichloro-p-benzoquinone
  • 1,2-Dichloro-4,5-dicyano-p-benzoquinone
  • Dichlorodicyano-p-benzoquinone
  • 2,3-Dicyano-5,6-dichlorobenzoquinone
  • 2,3-Chloro-5,6-dicyanoquinone
  • 2,3-Dichlorodicyano-p-benzoquinone
  • DDQ
  • 2,3-Dichloro-5,6-cyano-1,4-benzoquinone
  • Dicyanodichloroquinone
  • 5,6-Dichloro-2,3-dicyano-p-benzoquinone
  • NSC 401087
  • Dichloro-5,6-dicyano-1,4-benzoquinone

Work with 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Chloranil118-75-250 % similar O-Chloranil2435-53-248 % similar Chloranilic acid87-88-735 % similar Barium chloranilate13435-46-632 % similar [3,6-Dichloro-4,5-di(hydroxy-κO)-3,5-cyclohexadiene-1,2-dionato(2-)]mercury33770-60-432 % similar 2-Chloroacrylonitrile920-37-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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