chempirical

4-Bromo-4'-iodobiphenyl

C12H8BrICAS 105946-82-5359.00 g/mol

Open in Covalent MOL file
IBr
Aryl halide

Properties

Molecular formula
C12H8BrI
Molar mass
359.00 g/mol
Exact mass
357.8854 Da
logP
4.72Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
105946-82-5
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)I)Br
InChIKey
GWOAJJWBCSUGHH-UHFFFAOYSA-N
InChI
InChI=1S/C12H8BrI/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H

Weigh it out

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

Work with 4-Bromo-4'-iodobiphenyl

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-4-iodobenzene589-87-783 % similar 4,4′-Diiodo-1,1′-biphenyl3001-15-867 % similar 4,4′-Dibromobiphenyl92-86-467 % similar 4-Hydroxy-4′-iodobiphenyl29558-78-957 % similar 4-Iodobiphenyl1591-31-755 % similar 4-Bromobiphenyl92-66-055 % similar 4-Bromo-4′-hydroxybiphenyl29558-77-852 % similar 1,4-Dibromobenzene106-37-650 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook