[3,6-Dichloro-4,5-di(hydroxy-κO)-3,5-cyclohexadiene-1,2-dionato(2-)]mercury

C6Cl2HgO4CAS 33770-60-4407.55 g/mol

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OOClO−O−ClHg2+
AlkeneKetoneVinyl halide

Properties

Molecular formula
C6Cl2HgO4
Molar mass
407.55 g/mol
Exact mass
407.8880 Da
logP
-1.24Crippen estimate
Polar surface area
80.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
33770-60-4
SMILES
O=C1C(=O)C(Cl)=C([O-])C([O-])=C1Cl.[Hg+2]
InChIKey
HISBJHFQGVDTNZ-UHFFFAOYSA-L
InChI
InChI=1S/C6H2Cl2O4.Hg/c7-1-3(9)5(11)2(8)6(12)4(1)10;/h9,11H;/q;+2/p-2

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Names and synonyms

4 names
  • Mercury, [3,6-dichloro-4,5-di(hydroxy-κO)-3,5-cyclohexadiene-1,2-dionato(2-)]-
  • p-Benzoquinone, 2,5-dichloro-3,6-dihydroxy-, mercury(2+) salt
  • Mercury, [2,5-dichloro-3,6-dihydroxy-2,5-cyclohexadiene-1,4-dionato(2-)-O1,O6]-
  • 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-dihydroxy-, mercury complex

Work with [3,6-Dichloro-4,5-di(hydroxy-κO)-3,5-cyclohexadiene-1,2-dionato(2-)]mercury

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

Barium chloranilate13435-46-657 % similar O-Chloranil2435-53-250 % similar Chloranil118-75-245 % similar Chloranilic acid87-88-736 % similar 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrahydroxy-, sodium salt (1:2)1887-02-132 % similar 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone84-58-232 % similar Mercury(II) acetate1600-27-732 % similar Mercury benzoate583-15-330 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

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