chempirical

3,9-Dibromo-7H-benz[de]anthracen-7-one

C17H8Br2OCAS 81-98-1388.06 g/mol

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OBrBr
Aryl halideKetone

Properties

Molecular formula
C17H8Br2O
Molar mass
388.06 g/mol
Exact mass
385.8942 Da
logP
5.58Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
81-98-1
SMILES
O=C1c2cc(Br)ccc2-c2ccc(Br)c3cccc1c23
InChIKey
XBZKJGBIPSQKAU-UHFFFAOYSA-N
InChI
InChI=1S/C17H8Br2O/c18-9-4-5-10-11-6-7-15(19)12-2-1-3-13(16(11)12)17(20)14(10)8-9/h1-8H

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Names and synonyms

6 names
  • 7H-Benz[de]anthracen-7-one, 3,9-dibromo-
  • 3,9-Dibromo-7-oxo-7H-benz[de]anthracene
  • 3,9-Dibromobenzanthrone
  • NSC 84191
  • 3,9-Dibromobenzo[b]phenalen-7-one
  • 3,9-Dibromo-7H-benzo[de]anthracen-7-one

Work with 3,9-Dibromo-7H-benz[de]anthracen-7-one

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-Bromobenzanthrone81-96-976 % similar 2,7-Dibromo-9-fluorenone14348-75-561 % similar Dibromodibenzo[B,def]chrysene-7,14-dione1324-11-450 % similar Benzanthrone82-05-345 % similar 4-Bromo-1,8-naphthalic anhydride81-86-744 % similar Violanthrone116-71-244 % similar Isoviolanthrone128-64-344 % similar 2-Hydroxyfluorenone6949-73-143 % similar

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

Elsewhere

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