chempirical

2-Bromo-1-(3,4-difluorophenyl)ethan-1-one

C8H5BrF2OCAS 40706-98-7235.03 g/mol

Open in Covalent MOL file
OBrFF
Alkyl halideAryl halideKetone

Properties

Molecular formula
C8H5BrF2O
Molar mass
235.03 g/mol
Exact mass
233.9492 Da
logP
2.54Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
40706-98-7
SMILES
C1=CC(=C(C=C1C(=O)CBr)F)F
InChIKey
BYIVWTZVICGYFS-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrF2O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3H,4H2

Weigh it out

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

Work with 2-Bromo-1-(3,4-difluorophenyl)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

1-(3,4-Difluorophenyl)-1-propanone23384-72-764 % similar 2-Chloro-1-(3,4-difluorophenyl)ethanone51336-95-964 % similar 4-Fluorophenacyl bromide403-29-259 % similar 1,1′-[1,1′-Biphenyl]-4,4′-diylbis[2-bromoethanone]4072-67-755 % similar 2-Bromo-1-(3,4-dichlorophenyl)ethanone2632-10-254 % similar 2-(Bromoacetyl)naphthalene613-54-754 % similar 2-Bromo-1-(3,4-dimethoxyphenyl)ethanone1835-02-554 % similar 2-Bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one4629-54-353 % similar

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

Same formula

2-Bromo-2',4'-difluoroacetophenone102429-07-2

Elsewhere

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