chempirical

4-Bromo-2-fluoro-1,1′-biphenyl

C12H8BrFCAS 41604-19-7251.10 g/mol

Open in Covalent MOL file
FBr
Aryl halide

Properties

Molecular formula
C12H8BrF
Molar mass
251.10 g/mol
Exact mass
249.9793 Da
logP
4.26Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
41604-19-7
SMILES
Fc1cc(Br)ccc1-c1ccccc1
InChIKey
HTRNHWBOBYFTQF-UHFFFAOYSA-N
InChI
InChI=1S/C12H8BrF/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H

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Names and synonyms

5 names
  • 1,1′-Biphenyl, 4-bromo-2-fluoro-
  • 4-Bromo-2-fluorobiphenyl
  • 2-Fluoro-4-bromobiphenyl
  • 4-Bromo-4-biphenylylacetone
  • 4′-Bromo-2′-fluorobiphenyl

Work with 4-Bromo-2-fluoro-1,1′-biphenyl

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

2,4-Difluoro-1,1′-biphenyl37847-52-260 % similar 2-Fluorobiphenyl321-60-854 % similar 1-Bromo-3,4-difluorobenzene348-61-854 % similar 4-Bromo-2-fluorobenzonitrile105942-08-347 % similar 4-Bromo-2-fluoro-1-iodobenzene105931-73-547 % similar 4-Bromo-2-fluorophenol2105-94-447 % similar 4-Bromo-2-fluoroaniline367-24-847 % similar 4-Bromo-2-fluorotoluene51436-99-847 % similar

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

Same formula

4-Bromo-4′-fluoro-1,1′-biphenyl398-21-0

Elsewhere

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