1-(3-Bromo-4-fluorophenyl)-1-propanone

C₉H₈BrFOCAS 202865-82-5231.06 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₉H₈BrFO
Molar mass: 231.06 g/mol
Exact mass: 229.9743 Da
logP: 3.18Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

202865-82-5

SMILES

CCC(=O)c1ccc(F)c(Br)c1

InChIKey

IZSXDWBFACKNSW-UHFFFAOYSA-N

InChI

InChI=1S/C9H8BrFO/c1-2-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2H2,1H3

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

Names and synonyms

2 names

1-Propanone, 1-(3-bromo-4-fluorophenyl)-
3-Bromo-4-fluoropropiophenone

Work with 1-(3-Bromo-4-fluorophenyl)-1-propanone

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

1-(3,4-Difluorophenyl)-1-propanone23384-72-771 % similar 3-Bromo-4-fluorobenzoyl chloride672-75-355 % similar Methyl 3-bromo-4-fluorobenzoate82702-31-655 % similar 4′-Bromopropiophenone10342-83-353 % similar 1-(4-Fluorophenyl)-1-propanone456-03-153 % similar 1-(3-Bromophenyl)-1-propanone19829-31-353 % similar 1-(2,5-Difluorophenyl)-1-propanone29112-90-150 % similar 1-(3,4-Dichlorophenyl)-1-propanone6582-42-949 % similar

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

Elsewhere

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