3-Hydroxy-4-iodobenzaldehyde

C₇H₅IO₂CAS 135242-71-6248.02 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Phenol

Properties

Molecular formula: C₇H₅IO₂
Molar mass: 248.02 g/mol
Exact mass: 247.9334 Da
logP: 1.81Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

135242-71-6

SMILES

C1=CC(=C(C=C1C=O)O)I

InChIKey

IHLOHISMHMTTAA-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3-Hydroxy-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

Protocatechuic aldehyde139-85-564 % similar 3-Fluoro-4-iodobenzaldehyde1003709-57-656 % similar 4-Hydroxy-3,5-diiodobenzaldehyde1948-40-952 % similar 3-Chloro-4-hydroxybenzaldehyde2420-16-852 % similar 3-Bromo-4-hydroxybenzaldehyde2973-78-652 % similar 3-Fluoro-4-hydroxybenzaldehyde405-05-052 % similar Isovanillin621-59-051 % similar 3,4,5-Trihydroxybenzaldehyde13677-79-750 % similar

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

Same formula

5-Iodosalicylaldehyde1761-62-2 3-Iodobenzoic acid618-51-9 4-Iodobenzoic acid619-58-9 2-Iodobenzoic acid88-67-5

Elsewhere

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