chempirical

6-Bromochromone

C9H5BrO2CAS 51483-92-2225.04 g/mol

Open in Covalent MOL file
BrOO
Aryl halide

Properties

Molecular formula
C9H5BrO2
Molar mass
225.04 g/mol
Exact mass
223.9473 Da
logP
2.56Crippen estimate
Polar surface area
30.2 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
51483-92-2
SMILES
C1=CC2=C(C=C1Br)C(=O)C=CO2
InChIKey
XVNBWGGBXOJIDR-UHFFFAOYSA-N
InChI
InChI=1S/C9H5BrO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H

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Names and synonyms

1 names
  • 6-Bromo-4H-chromen-4-one

Work with 6-Bromochromone

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

6-Chlorochromone33533-99-259 % similar 5-Bromo-1-benzofuran23145-07-553 % similar Chromone491-38-353 % similar 6-Bromochromone-2-carboxylic acid51484-06-149 % similar 6-Bromobenzofuran128851-73-048 % similar 2,8-Dibromodibenzofuran10016-52-148 % similar 6-Bromo-3-formylchromone52817-12-646 % similar 6-Bromo-4-hydroxyquinoline145369-94-446 % similar

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

Same formula

3-Bromochromone49619-82-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook