3-Hydroxy-4-iodobenzoic acid

C₇H₅IO₃CAS 58123-77-6264.02 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Phenol

Properties

Molecular formula: C₇H₅IO₃
Molar mass: 264.02 g/mol
Exact mass: 263.9283 Da
Melting point: 226–228 °C (decomposes)
logP: 1.70Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

58123-77-6

SMILES

O=C(O)c1ccc(I)c(O)c1

InChIKey

UABBBWVTEWIIMN-UHFFFAOYSA-N

InChI

InChI=1S/C7H5IO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

Benzoic acid, 3-hydroxy-4-iodo-

Work with 3-Hydroxy-4-iodobenzoic acid

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-Hydroxy-4-methylbenzoic acid586-30-164 % similar 4-Hydroxy-3-methylbenzoic acid499-76-359 % similar 3-Iodo-4-methylbenzoic acid82998-57-059 % similar 4-Hydroxyisophthalic acid636-46-458 % similar 4-Amino-3-iodobenzoic acid2122-63-657 % similar 4-Chloro-3-iodobenzoic acid42860-04-857 % similar 3,5-Diiodo-4-hydroxybenzoic acid618-76-855 % similar 3-Bromo-4-hydroxybenzoic acid14348-41-554 % similar

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

Same formula

5-Iodosalicylic acid119-30-2 2-Iodosylbenzoic acid304-91-6

Elsewhere

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