chempirical

1-(4-Bromo-2-fluorophenyl)ethan-1-one

C8H6BrFOCAS 625446-22-2217.04 g/mol

Open in Covalent MOL file
OBrF
Aryl halideKetone

Properties

Molecular formula
C8H6BrFO
Molar mass
217.04 g/mol
Exact mass
215.9586 Da
logP
2.79Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

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
625446-22-2
SMILES
CC(=O)C1=C(C=C(C=C1)Br)F
InChIKey
ASKFCSCYGAFWAB-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrFO/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3

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Names and synonyms

1 names
  • 4-Bromo-2-fluoroacetophenone

Work with 1-(4-Bromo-2-fluorophenyl)ethan-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-Acetyl-3-fluorophenol98619-07-965 % similar 1-(2,4-Difluorophenyl)ethanone364-83-064 % similar 4-Bromo-2-fluorobenzoic acid112704-79-760 % similar 4-Bromo-2-fluorobenzoyl chloride151982-51-360 % similar 1-(4-Chloro-2-fluorophenyl)ethanone175711-83-860 % similar 1-(4-Bromo-2-hydroxyphenyl)ethan-1-one30186-18-660 % similar 4-Bromo-2-fluoro-benzoic acid methyl ester179232-29-259 % similar 4-Bromo-2-fluoro-N-methylbenzamide749927-69-359 % similar

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

Same formula

1-(2-Bromo-5-fluorophenyl)ethanone1006-33-3 1-(2-Bromo-4-fluorophenyl)ethanone1006-39-9 1-(3-Bromo-4-fluorophenyl)ethanone1007-15-4 2-Bromo-6-fluoro-3-methylbenzaldehyde154650-16-5 1-(3-Bromo-2-fluorophenyl)ethanone161957-61-5 1-(5-Bromo-2-fluorophenyl)ethanone198477-89-3 1-(4-Bromo-3-fluorophenyl)ethan-1-one304445-49-6 4-Fluorophenacyl bromide403-29-2

Elsewhere

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