chempirical

4,4′-Diiodo-1,1′-biphenyl

C12H8I2CAS 3001-15-8406.00 g/mol

Open in Covalent MOL file
II
Aryl halide

Properties

Molecular formula
C12H8I2
Molar mass
406.00 g/mol
Exact mass
405.8715 Da
Melting point
202 °C
logP
4.56Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
3001-15-8
SMILES
Ic1ccc(-c2ccc(I)cc2)cc1
InChIKey
GPYDMVZCPRONLW-UHFFFAOYSA-N
InChI
InChI=1S/C12H8I2/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.

Names and synonyms

6 names
  • 1,1′-Biphenyl, 4,4′-diiodo-
  • Biphenyl, 4,4′-diiodo-
  • 4,4′-Diiodobiphenyl
  • 4,4′-Diiododiphenyl
  • p,p′-Diiodobiphenyl
  • 1-Iodo-4-(4-iodophenyl)benzene

Work with 4,4′-Diiodo-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-Iodobiphenyl1591-31-775 % similar 1,4-Diiodobenzene624-38-475 % similar 4-Bromo-4'-iodobiphenyl105946-82-567 % similar 4-Hydroxy-4′-iodobiphenyl29558-78-967 % similar 4-Iodo-4′-nitro-1,1′-biphenyl29170-08-950 % similar 1-Fluoro-4-iodobenzene352-34-150 % similar 4-Iodoaniline540-37-450 % similar 4-Iodophenol540-38-550 % similar

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

Elsewhere

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