1,5-Dichloroanthraquinone

C₁₄H₆Cl₂O₂CAS 82-46-2277.10 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₄H₆Cl₂O₂
Molar mass: 277.10 g/mol
Exact mass: 275.9745 Da
Density: 0.5–0.6 g/mL
Melting point: 251 °C
logP: 3.77Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

82-46-2

SMILES

O=C1c2cccc(Cl)c2C(=O)c2cccc(Cl)c21

InChIKey

MQIUMARJCOGCIM-UHFFFAOYSA-N

InChI

InChI=1S/C14H6Cl2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6H

Weigh it out

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

Names and synonyms

5 names

9,10-Anthracenedione, 1,5-dichloro-
Anthraquinone, 1,5-dichloro-
1,5-Dichloro-9,10-anthracenedione
1,5-Dichloro-9,10-anthraquinone
NSC 13969

Work with 1,5-Dichloroanthraquinone

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-Amino-5-chloroanthraquinone117-11-375 % similar 1,4,5,8-Tetrachloro-9,10-anthracenedione81-58-358 % similar 2,6-Dichlorobenzoic acid50-30-656 % similar 2-Chlorobenzophenone5162-03-855 % similar Anthrarufin117-12-454 % similar 1,5-Diaminoanthraquinone129-44-254 % similar 3-Chlorophthalic anhydride117-21-553 % similar 1,2-Bis(2-chlorophenyl)-1,2-ethanedione21854-95-552 % similar

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

Same formula

1,8-Dichloroanthraquinone82-43-9

Elsewhere

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