chempirical

2-Chloroanthraquinone

C14H7ClO2CAS 131-09-9242.66 g/mol

Open in Covalent MOL file
OOCl
Aryl halideKetone

Properties

Molecular formula
C14H7ClO2
Molar mass
242.66 g/mol
Exact mass
242.0135 Da
Melting point
211 °C
logP
3.12Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
131-09-9
SMILES
O=C1c2ccccc2C(=O)c2cc(Cl)ccc21
InChIKey
FPKCTSIVDAWGFA-UHFFFAOYSA-N
InChI
InChI=1S/C14H7ClO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H

Weigh it out

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

Names and synonyms

7 names
  • 9,10-Anthracenedione, 2-chloro-
  • Anthraquinone, 2-chloro-
  • 2-Chloro-9,10-anthracenedione
  • β-Chloroanthraquinone
  • 2-Chloro-9,10-anthraquinone
  • NSC 1702
  • 2-Chloro-9,10-dihydroanthracene-9,10-dione

Work with 2-Chloroanthraquinone

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

2-Amino-2′,5-dichlorobenzophenone2958-36-360 % similar Anthraquinone84-65-158 % similar 2-Amino-5-chloro-2′-fluorobenzophenone784-38-357 % similar 2,5-Dichlorobenzophenone16611-67-956 % similar 2,4-Dichlorobenzophenone19811-05-356 % similar 2-Aminoanthraquinone117-79-355 % similar 2-Hydroxyanthraquinone605-32-355 % similar 2-Methylanthraquinone84-54-855 % similar

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

Same formula

1-Chloroanthraquinone82-44-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook