1-Iodo-3,4-methylenedioxybenzene

C₇H₅IO₂CAS 5876-51-7248.02 g/mol

Open in Covalent MOL file

Acetal Aryl halide Ether

Properties

Molecular formula: C₇H₅IO₂
Molar mass: 248.02 g/mol
Exact mass: 247.9334 Da
logP: 2.02Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

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

5876-51-7

SMILES

C1OC2=C(O1)C=C(C=C2)I

InChIKey

NMMCBIXYIYQHCP-UHFFFAOYSA-N

InChI

InChI=1S/C7H5IO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4H2

Weigh it out

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

Work with 1-Iodo-3,4-methylenedioxybenzene

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

3,4-Ethylenedioxyiodobenzene57744-67-975 % similar Benzodioxol-5-amine14268-66-750 % similar 5-Bromo-1,3-benzodioxole2635-13-450 % similar Sesamol533-31-350 % similar 4-Iodo-1,2-dimethoxybenzene5460-32-250 % similar 5-Methyl-1,3-benzodioxole7145-99-550 % similar 5-Chloro-1,3-benzodioxole7228-38-850 % similar Piperonyl chloride20850-43-547 % similar

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

Same formula

3-Hydroxy-4-iodobenzaldehyde135242-71-6 5-Iodosalicylaldehyde1761-62-2 4-Hydroxy-3-iodobenzaldehyde60032-63-5 3-Iodobenzoic acid618-51-9 4-Iodobenzoic acid619-58-9 2-Iodobenzoic acid88-67-5

Elsewhere

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