3,4-Ethylenedioxyiodobenzene

C₈H₇IO₂CAS 57744-67-9262.05 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₈H₇IO₂
Molar mass: 262.05 g/mol
Exact mass: 261.9491 Da
logP: 2.06Crippen 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

57744-67-9

SMILES

C1COC2=C(O1)C=CC(=C2)I

InChIKey

HZTMYTXWFHBHDC-UHFFFAOYSA-N

InChI

InChI=1S/C8H7IO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4H2

Weigh it out

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

Names and synonyms

1 names

6-Iodo-2,3-dihydro-1,4-benzodioxine

Work with 3,4-Ethylenedioxyiodobenzene

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-Iodo-3,4-methylenedioxybenzene5876-51-775 % similar 6-Bromo-1,4-benzodioxane52287-51-152 % similar 1,4-Benzodioxan-6-amine22013-33-850 % similar 4-Iodo-1,2-dimethoxybenzene5460-32-250 % similar 2,3-Dihydro-1,4-benzodioxin-6-methanamine17413-10-447 % similar Benzodioxan493-09-446 % similar (2,3-Dihydro-1,4-benzodioxin-6-yl)boronic acid164014-95-345 % similar 1,4-Benzodioxan-6-carboxaldehyde29668-44-845 % similar

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

Same formula

2-Iodo-3-methylbenzoic acid108078-14-4 4-Iodophenylacetic acid1798-06-7 2-Iodophenylacetic acid18698-96-9 3-Iodophenylacetic acid1878-69-9 3-Iodo-4-methoxybenzaldehyde2314-37-6 4-Iodo-3-methylbenzoic acid52107-87-6 2-Iodo-5-methylbenzoic acid52548-14-8 5-Iodo-2-methylbenzoic acid54811-38-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook