2,6-Dibromoanthraquinone

C₁₄H₆Br₂O₂CAS 633-70-5366.01 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₄H₆Br₂O₂
Molar mass: 366.01 g/mol
Exact mass: 363.8735 Da
logP: 3.99Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

633-70-5

SMILES

C1=CC2=C(C=C1Br)C(=O)C3=C(C2=O)C=C(C=C3)Br

InChIKey

JUFYHUWBLXKCJM-UHFFFAOYSA-N

InChI

InChI=1S/C14H6Br2O2/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6H

Weigh it out

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

Work with 2,6-Dibromoanthraquinone

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-Bromoanthraquinone572-83-888 % similar 2,7-Dibromo-9-fluorenone14348-75-572 % similar 3-Bromo-9H-fluoren-9-one2041-19-260 % similar 2-Bromo-9-fluorenone3096-56-860 % similar 2,6-Dihydroxyanthraquinone84-60-656 % similar 4-Bromophthalimide6941-75-955 % similar 4-Bromophthalic acid6968-28-155 % similar 4-Bromophthalic anhydride86-90-855 % similar

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

Same formula

3,6-Dibromo-9,10-phenanthrenedione53348-05-3 2,7-Dibromo-9,10-phenanthrenedione84405-44-7

Elsewhere

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