chempirical

4-Iodobenzaldehyde

C7H5IOCAS 15164-44-0232.02 g/mol

Open in Covalent MOL file
OI
AldehydeAryl halide

Properties

Molecular formula
C7H5IO
Molar mass
232.02 g/mol
Exact mass
231.9385 Da
logP
2.10Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
15164-44-0
SMILES
C1=CC(=CC=C1C=O)I
InChIKey
NIEBHDXUIJSHSL-UHFFFAOYSA-N
InChI
InChI=1S/C7H5IO/c8-7-3-1-6(5-9)2-4-7/h1-5H

Weigh it out

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

Work with 4-Iodobenzaldehyde

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

[1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-857 % similar Benzaldehyde100-52-750 % similar 4-Methylbenzaldehyde104-87-050 % similar 4-Chlorobenzaldehyde104-88-150 % similar 4-Bromobenzaldehyde1122-91-450 % similar 1,3,5-Tris(4-formylphenyl)benzene118688-53-250 % similar Tris(4-formylphenyl)amine119001-43-350 % similar 4-Hydroxybenzaldehyde123-08-050 % similar

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

Same formula

2-Iodobenzaldehyde26260-02-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook