chempirical

3,6-Dibromo-9,10-phenanthrenedione

C14H6Br2O2CAS 53348-05-3366.01 g/mol

Open in Covalent MOL file
OOBrBr
Aryl halideKetone

Properties

Molecular formula
C14H6Br2O2
Molar mass
366.01 g/mol
Exact mass
363.8735 Da
Melting point
286–287 °C
logP
4.26Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
53348-05-3
SMILES
O=C1C(=O)c2ccc(Br)cc2-c2cc(Br)ccc21
InChIKey
WPEJBJRFPBMVGJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H6Br2O2/c15-7-1-3-9-11(5-7)12-6-8(16)2-4-10(12)14(18)13(9)17/h1-6H

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Names and synonyms

7 names
  • 9,10-Phenanthrenedione, 3,6-dibromo-
  • Phenanthrenequinone, 3,6-dibromo-
  • 3,6-Dibromo-9,10-phenanthrenequinone
  • NSC 87364
  • 3,6-Dibromophenanthrene-9,10-dione
  • 3,6-Dibromophenanthraquinone
  • 3,6-Dibromo-9,10-dihydrophenanthrene-9,10-dione

Work with 3,6-Dibromo-9,10-phenanthrenedione

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-Bromophenanthrene-9,10-dione13292-05-281 % similar 2,7-Dibromo-9-fluorenone14348-75-552 % similar 4-Bromophthalic acid6968-28-148 % similar 4-Bromophthalic anhydride86-90-848 % similar 4,4′-Dibromobenzil35578-47-348 % similar 5-Bromoisatin87-48-947 % similar 2,4-Dibromobenzoic acid611-00-745 % similar Phenanthrenequinone84-11-744 % similar

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

Elsewhere

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