chempirical

1-(2-Bromo-6-fluorophenyl)ethanone

C8H6BrFOCAS 928715-37-1217.04 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
928715-37-1
SMILES
CC(=O)C1=C(C=CC=C1Br)F
InChIKey
ZTLLHQUYOLPVAR-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrFO/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3

Weigh it out

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

Work with 1-(2-Bromo-6-fluorophenyl)ethanone

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-(2,6-Difluorophenyl)ethanone13670-99-075 % similar 2'-Chloro-6'-fluoroacetophenone87327-69-364 % similar 2'-Fluoro-6'-hydroxyacetophenone93339-98-162 % similar 2-Bromo-6-fluorobenzoic acid2252-37-159 % similar 2'-Fluoro-6'-(trifluoromethyl)acetophenone174013-29-758 % similar 1-(2,3,6-Trifluorophenyl)ethanone208173-22-255 % similar 2′-Fluoroacetophenone445-27-252 % similar 2',3'-Difluoroacetophenone18355-80-151 % 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 2-Bromo-1-(4-fluorophenyl)ethan-1-one403-29-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook