chempirical

Barium chloranilate

C6BaCl2O4CAS 13435-46-6344.29 g/mol

Open in Covalent MOL file
O−OClO−OClBa2+
AlkeneKetoneVinyl halide

Properties

Molecular formula
C6BaCl2O4
Molar mass
344.29 g/mol
Exact mass
343.8226 Da
logP
0.77Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
13435-46-6
SMILES
[O-]C=1C(=O)C(Cl)=C([O-])C(=O)C1Cl.[Ba+2]
InChIKey
MKVTZPTZOROPDP-UHFFFAOYSA-N
InChI
InChI=1S/C6H2Cl2O4.Ba/c7-1-3(9)5(11)2(8)6(12)4(1)10;/h9,12H;

Weigh it out

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

Names and synonyms

4 names
  • 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-dihydroxy-, barium salt (1:1)
  • p-Benzoquinone, 2,5-dichloro-3,6-dihydroxy-, barium salt (1:1)
  • Barium, [(3,6-dichloro-p-benzoquinon-2,5-ylene)dioxy]-
  • p-Benzoquinone, 2,5-dichloro-3,6-dihydroxy-, barium deriv.

Work with Barium chloranilate

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

[3,6-Dichloro-4,5-di(hydroxy-κO)-3,5-cyclohexadiene-1,2-dionato(2-)]mercury33770-60-457 % similar Chloranil118-75-245 % similar O-Chloranil2435-53-243 % similar Barium carbonate513-77-936 % similar Barium oxalate516-02-936 % 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

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

Elsewhere

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