chempirical

4-Bromo-2-fluoro-1-iodobenzene

C6H3BrFICAS 105931-73-5300.90 g/mol

Open in Covalent MOL file
FBrI
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
105931-73-5
SMILES
Fc1cc(Br)ccc1I
InChIKey
XRMZKCQCINEBEI-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrFI/c7-4-1-2-6(9)5(8)3-4/h1-3H

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 4-bromo-2-fluoro-1-iodo-
  • 1-Bromo-3-fluoro-4-iodobenzene
  • 3-Fluoro-4-iodobromobenzene
  • 4-Bromo-2-fluoroiodobenzene
  • 3-Fluoro-4-iodo-1-bromobenzene
  • 2-Fluoro-4-bromo-1-iodobenzene

Work with 4-Bromo-2-fluoro-1-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-Bromo-3,4-difluorobenzene348-61-860 % similar 4-Bromo-2-fluorotoluene51436-99-857 % similar 5-Bromo-2-iodotoluene116632-39-454 % similar 4-Bromo-2-fluorophenol2105-94-452 % similar 4-Bromo-2-chloro-1-iodobenzene31928-47-952 % similar 4-Bromo-2-fluoroaniline367-24-852 % similar 2-Fluoro-1-iodo-4-methylbenzene452-79-952 % similar 4-Bromo-1-fluoro-2-methylbenzene51437-00-452 % similar

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

Same formula

3-Iodo-4-fluorobromobenzene116272-41-4 1-Bromo-2-fluoro-4-iodobenzene136434-77-0 2-Bromo-4-fluoro-1-iodobenzene202865-73-4

Elsewhere

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