chempirical

3-Fluorophenacyl bromide

C8H6BrFOCAS 53631-18-8217.04 g/mol

Open in Covalent MOL file
FOBr
Alkyl halideAryl halideKetone

Properties

Molecular formula
C8H6BrFO
Molar mass
217.04 g/mol
Exact mass
215.9586 Da
logP
2.40Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

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
53631-18-8
SMILES
C1=CC(=CC(=C1)F)C(=O)CBr
InChIKey
ITAQNNGDCNFGID-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrFO/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2

Weigh it out

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

Names and synonyms

1 names
  • 2-Bromo-1-(3-fluorophenyl)ethan-1-one

Work with 3-Fluorophenacyl bromide

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

3-Bromophenacyl bromide18523-22-366 % similar 2-Bromo-1-(3-chlorophenyl)ethanone41011-01-264 % similar 2-Bromo-1-(3-hydroxyphenyl)ethanone2491-37-462 % similar 2-Bromo-1-[3-(trifluoromethyl)phenyl]ethanone2003-10-361 % similar Phenacyl bromide70-11-160 % similar 2-Bromo-1-(3,4-difluorophenyl)ethan-1-one40706-98-759 % similar 3-(3-Fluorophenyl)-3-oxopropanenitrile21667-61-858 % similar 2-Bromo-3′-methoxyacetophenone5000-65-757 % 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

PubChem CAS Common Chemistry NIST WebBook