chempirical

4-Bromo-4′-fluoro-1,1′-biphenyl

C12H8BrFCAS 398-21-0251.10 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
Melting point
98 °C
logP
4.26Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
398-21-0
SMILES
Fc1ccc(-c2ccc(Br)cc2)cc1
InChIKey
XFGPSHWWPIFPNL-UHFFFAOYSA-N
InChI
InChI=1S/C12H8BrF/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H

Weigh it out

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Names and synonyms

7 names
  • 1,1′-Biphenyl, 4-bromo-4′-fluoro-
  • Biphenyl, 4-bromo-4′-fluoro-
  • 4-Bromo-4′-fluorobiphenyl
  • 4-Fluoro-4′-bromobiphenyl
  • 4′-Bromo-4-fluorobiphenyl
  • NSC 91565
  • 1-Bromo-4-(4-fluorophenyl)benzene

Work with 4-Bromo-4′-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

4-Fluorobromobenzene460-00-483 % similar 4,4′-Dibromobiphenyl92-86-467 % similar 4′-Fluoro[1,1′-biphenyl]-4-ol324-94-757 % similar 4-Fluorobiphenyl324-74-355 % similar 4-Bromobiphenyl92-66-055 % similar 4-Bromo-4′-hydroxybiphenyl29558-77-852 % similar 4-Bromo-4'-iodobiphenyl105946-82-550 % similar 1,4-Dibromobenzene106-37-650 % similar

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

Same formula

4-Bromo-2-fluoro-1,1′-biphenyl41604-19-7

Elsewhere

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