chempirical

1,8-Dichloroanthraquinone

C14H6Cl2O2CAS 82-43-9277.10 g/mol

Open in Covalent MOL file
OClOCl
Aryl halideKetone

Properties

Molecular formula
C14H6Cl2O2
Molar mass
277.10 g/mol
Exact mass
275.9745 Da
Density
1.62 g/mL
Melting point
202 °C
logP
3.77Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
82-43-9
SMILES
O=C1c2cccc(Cl)c2C(=O)c2c(Cl)cccc21
InChIKey
VBQNYYXVDQUKIU-UHFFFAOYSA-N
InChI
InChI=1S/C14H6Cl2O2/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6H

Weigh it out

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

Names and synonyms

6 names
  • 9,10-Anthracenedione, 1,8-dichloro-
  • Anthraquinone, 1,8-dichloro-
  • 1,8-Dichloro-9,10-anthracenedione
  • 1,8-Dichloro-9,10-anthraquinone
  • NSC 7209
  • 1,8-Dichloro-9,10-dihydroanthracene-9,10-dione

Work with 1,8-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-chloroanthraquinone117-11-367 % similar 1,4,5,8-Tetrachloro-9,10-anthracenedione81-58-363 % similar 1,8-Dihydroxyanthraquinone117-10-255 % similar 2,6-Dichlorobenzoic acid50-30-654 % similar 2-Chlorobenzophenone5162-03-853 % similar 3-Chlorophthalic anhydride117-21-552 % similar 1,2-Bis(2-chlorophenyl)-1,2-ethanedione21854-95-550 % similar 2,6-Dichlorobenzoyl chloride4659-45-450 % similar

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

Same formula

1,5-Dichloroanthraquinone82-46-2

Elsewhere

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