chempirical

3-Iodobenzaldehyde

C7H5IOCAS 696-41-3232.02 g/mol

Open in Covalent MOL file
IO
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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
696-41-3
SMILES
C1=CC(=CC(=C1)I)C=O
InChIKey
RZODAQZAFOBFLS-UHFFFAOYSA-N
InChI
InChI=1S/C7H5IO/c8-7-3-1-2-6(4-7)5-9/h1-5H

Weigh it out

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

Work with 3-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

Isophthalaldehyde626-19-765 % similar 3-Fluorobenzaldehyde456-48-454 % similar 3-Chlorobenzaldehyde587-04-254 % similar 1,3-Diiodobenzene626-00-652 % similar 3-Hydroxybenzaldehyde100-83-452 % similar [1,1′-Biphenyl]-3-carboxaldehyde1204-60-052 % similar 3-Bromobenzaldehyde3132-99-852 % similar 3-Methylbenzaldehyde620-23-552 % similar

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

Same formula

4-Iodobenzaldehyde15164-44-0 2-Iodobenzaldehyde26260-02-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook