chempirical

2-Bromoanthraquinone

C14H7BrO2CAS 572-83-8287.11 g/mol

Open in Covalent MOL file
OOBr
Aryl halideKetone

Properties

Molecular formula
C14H7BrO2
Molar mass
287.11 g/mol
Exact mass
285.9629 Da
logP
3.22Crippen estimate
Polar surface area
34.1 Ų
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
572-83-8
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)Br
InChIKey
VTSDGYDTWADUJQ-UHFFFAOYSA-N
InChI
InChI=1S/C14H7BrO2/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

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Work with 2-Bromoanthraquinone

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

2,6-Dibromoanthraquinone633-70-588 % similar 3-Bromo-9H-fluoren-9-one2041-19-270 % similar 2-Bromo-9-fluorenone3096-56-870 % similar 2,7-Dibromo-9-fluorenone14348-75-564 % similar 2-Hydroxyanthraquinone605-32-360 % similar Anthraquinone84-65-158 % similar (2-Amino-5-bromophenyl)(2-fluorophenyl)methanone1479-58-957 % similar 1196107-73-91196107-73-956 % similar

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

Same formula

3-Bromophenanthrene-9,10-dione13292-05-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook