2,4,6-Triiodophenol

C₆H₃I₃OCAS 609-23-4471.80 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₃I₃O
Molar mass: 471.80 g/mol
Exact mass: 471.7318 Da
Melting point: 159.8 °C
logP: 3.21Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

609-23-4

SMILES

Oc1c(I)cc(I)cc1I

InChIKey

VAPDZNUFNKUROY-UHFFFAOYSA-N

InChI

InChI=1S/C6H3I3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

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Names and synonyms

4 names

Phenol, 2,4,6-triiodo-
NSC 2594
AM 24
Bobel 24

Work with 2,4,6-Triiodophenol

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

3,5-Diiodosalicylaldehyde2631-77-859 % similar Ioxynil1689-83-450 % similar 4-Hydroxy-3,5-diiodobenzaldehyde1948-40-950 % similar 3,5-Diiodo-4-hydroxybenzoic acid618-76-846 % similar 2,6-Diiodo-4-nitrophenol305-85-145 % similar 1,4-Dihydroxy-2,5-diiodobenzene13064-64-741 % similar 3′,5′-Diiodo-L-tyrosine300-39-039 % similar 2,3,5-Triiodobenzoic acid88-82-438 % similar

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

Elsewhere

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