chempirical

1-Bromo-2-fluoro-4-iodobenzene

C6H3BrFICAS 136434-77-0300.90 g/mol

Open in Covalent MOL file
IFBr
Aryl halide

Properties

Molecular formula
C6H3BrFI
Molar mass
300.90 g/mol
Exact mass
299.8447 Da
logP
3.19Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
136434-77-0
SMILES
C1=CC(=C(C=C1I)F)Br
InChIKey
OCODJNASCDFXSR-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrFI/c7-5-2-1-4(9)3-6(5)8/h1-3H

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Work with 1-Bromo-2-fluoro-4-iodobenzene

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-Difluoro-4-iodobenzene64248-58-460 % similar 1-Bromo-2,4-difluorobenzene348-57-256 % similar 2-Fluoro-4-iodo-1-methylbenzene39998-81-754 % similar 4-Bromo-3-fluorophenol121219-03-252 % similar 1-Chloro-2-fluoro-4-iodobenzene202982-67-052 % similar 2-Fluoro-4-iodoaniline29632-74-452 % similar 4-Bromo-3-fluorotoluene452-74-452 % similar 1,4-Dibromo-2,5-difluorobenzene327-51-550 % similar

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

Same formula

4-Bromo-2-fluoro-1-iodobenzene105931-73-5 3-Iodo-4-fluorobromobenzene116272-41-4 2-Bromo-4-fluoro-1-iodobenzene202865-73-4

Elsewhere

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