chempirical

4-Bromo-7-fluoro-2,3-dihydroinden-1-one

C9H6BrFOCAS 1003048-72-3229.05 g/mol

Open in Covalent MOL file
OBrF
Aryl halideKetone

Properties

Molecular formula
C9H6BrFO
Molar mass
229.05 g/mol
Exact mass
227.9586 Da
logP
2.72Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
1003048-72-3
SMILES
C1CC(=O)C2=C(C=CC(=C21)Br)F
InChIKey
HNXHWYGTXAJDEC-UHFFFAOYSA-N
InChI
InChI=1S/C9H6BrFO/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3H,1,4H2

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Names and synonyms

1 names
  • 4-Bromo-7-fluoroindan-1-one

Work with 4-Bromo-7-fluoro-2,3-dihydroinden-1-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

4-Bromo-1-indanone15115-60-351 % similar 7-Bromo-2,3-dihydro-1H-inden-1-one125114-77-447 % similar 3-Bromo-2,6-difluorobenzoic acid28314-81-044 % similar 1-(3-Bromo-4-fluorophenyl)-1-propanone202865-82-542 % similar 5,7-Difluoro-2,3-dihydro-1H-inden-1-one84315-25-341 % similar 1-(2,6-Difluorophenyl)-1-propanone85068-31-138 % similar 2-Bromo-1-(2-fluorophenyl)ethanone655-15-237 % similar 1,2,6,7-Tetrahydro-8H-indeno[5,4-B]furan-8-one196597-78-136 % similar

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

Elsewhere

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