chempirical

1,4,5,8-Tetrachloro-9,10-anthracenedione

C14H4Cl4O2CAS 81-58-3345.98 g/mol

Open in Covalent MOL file
OClClOClCl
Aryl halideKetone

Properties

Molecular formula
C14H4Cl4O2
Molar mass
345.98 g/mol
Exact mass
343.8965 Da
Melting point
341–342 °C
logP
5.08Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
81-58-3
SMILES
O=C1c2c(Cl)ccc(Cl)c2C(=O)c2c(Cl)ccc(Cl)c21
InChIKey
DUJPMUKIEFLXRE-UHFFFAOYSA-N
InChI
InChI=1S/C14H4Cl4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H

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Names and synonyms

5 names
  • 9,10-Anthracenedione, 1,4,5,8-tetrachloro-
  • Anthraquinone, 1,4,5,8-tetrachloro-
  • 1,4,5,8-Tetrachloroanthraquinone
  • 1,4,5,8-Tetrachloro-9,10-anthraquinone
  • NSC 513487

Work with 1,4,5,8-Tetrachloro-9,10-anthracenedione

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

1,8-Dichloroanthraquinone82-43-963 % similar 1,5-Dichloroanthraquinone82-46-258 % similar 3,6-Dichlorophthalic anhydride4466-59-554 % similar 1-Chloroanthraquinone82-44-052 % similar 2,6-Dichlorobenzoyl chloride4659-45-448 % similar 2,3,6-Trichlorobenzoic acid50-31-746 % similar 1-(2,6-Dichlorophenyl)ethanone2040-05-346 % similar 2,6-Dichlorobenzoic acid50-30-646 % similar

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

Elsewhere

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