chempirical

4-Bromo-5-fluoro-2-methylbenzaldehyde

C8H6BrFOCAS 861928-26-9217.04 g/mol

Open in Covalent MOL file
OFBr
AldehydeAryl halide

Properties

Molecular formula
C8H6BrFO
Molar mass
217.04 g/mol
Exact mass
215.9586 Da
logP
2.71Crippen 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
861928-26-9
SMILES
CC1=CC(=C(C=C1C=O)F)Br
InChIKey
XTCHJHTWCZHFQJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrFO/c1-5-2-7(9)8(10)3-6(5)4-11/h2-4H,1H3

Weigh it out

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Work with 4-Bromo-5-fluoro-2-methylbenzaldehyde

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-Bromo-2,5-difluorobenzaldehyde357405-75-568 % similar 2-Chloro-4-bromo-5-fluorobenzaldehyde1214386-29-460 % similar 2-Bromo-4,5-difluorobenzaldehyde476620-54-959 % similar 1-Bromo-2,4-difluoro-5-methylbenzene159277-47-158 % similar 2,4,5-Trimethylbenzaldehyde5779-72-652 % similar 4-Bromo-3-fluorobenzaldehyde133059-43-547 % similar 5-Fluoro-2-methylbenzaldehyde22062-53-947 % similar 4-Bromo-2-methylbenzaldehyde24078-12-447 % 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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