chempirical

3-Iodobiphenyl

C12H9ICAS 20442-79-9280.11 g/mol

Open in Covalent MOL file
I
Aryl halide

Properties

Molecular formula
C12H9I
Molar mass
280.11 g/mol
Exact mass
279.9749 Da
Melting point
26.5 °C
Boiling point
149–152 °C (at 1 Torr)
logP
3.96Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
20442-79-9
SMILES
Ic1cccc(-c2ccccc2)c1
InChIKey
KAQUBIATNWQNRE-UHFFFAOYSA-N
InChI
InChI=1S/C12H9I/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H

Weigh it out

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

Names and synonyms

6 names
  • 1,1′-Biphenyl, 3-iodo-
  • Biphenyl, 3-iodo-
  • 3-Iodo-1,1′-biphenyl
  • 3-Biphenyl iodide
  • m-Iodobiphenyl
  • 1-Iodo-3-phenylbenzene

Work with 3-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

1,3-Diiodobenzene626-00-660 % similar M-Terphenyl92-06-860 % similar Iodobenzene591-50-455 % similar 3-Iodotoluene625-95-652 % similar 1-Fluoro-3-iodobenzene1121-86-448 % similar 3-Chlorobiphenyl2051-61-848 % similar 1-Chloro-3-iodobenzene625-99-048 % similar 3-Methylbiphenyl643-93-648 % similar

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

Same formula

4-Iodobiphenyl1591-31-7 2-Iodobiphenyl2113-51-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook