chempirical

2-Bromo-6-fluoro-3-methylbenzaldehyde

C8H6BrFOCAS 154650-16-5217.04 g/mol

Open in Covalent MOL file
FOBr
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

Identifiers

CAS number
154650-16-5
SMILES
CC1=C(C(=C(C=C1)F)C=O)Br
InChIKey
HORDCPFFRDZLRG-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrFO/c1-5-2-3-7(10)6(4-11)8(5)9/h2-4H,1H3

Weigh it out

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Work with 2-Bromo-6-fluoro-3-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

2-Chloro-6-fluoro-3-methylbenzaldehyde104451-99-260 % similar 2-Fluoro-6-methylbenzaldehyde117752-04-256 % similar 3-Bromo-2,6-difluorobenzaldehyde398456-82-150 % similar 2-Bromo-6-fluorobenzaldehyde360575-28-649 % similar 2,3,6-Trifluorobenzaldehyde104451-70-948 % similar 4-Fluoro-3-methylbenzaldehyde135427-08-647 % similar 3-Fluoro-4-methylbenzaldehyde177756-62-647 % similar 2-Bromo-1-fluoro-3-methylbenzene59907-13-047 % 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 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 2-Bromo-1-(2-fluorophenyl)ethanone655-15-2

Elsewhere

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