2,2,2-Triiodoacetic acid

C₂HI₃O₂CAS 594-68-3437.74 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₂HI₃O₂
Molar mass: 437.74 g/mol
Exact mass: 437.7111 Da
Melting point: 150 °C (decomposes)
logP: 2.03Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

594-68-3

SMILES

O=C(O)C(I)(I)I

InChIKey

WWHZZMHPRRFPGP-UHFFFAOYSA-N

InChI

InChI=1S/C2HI3O2/c3-2(4,5)1(6)7/h(H,6,7)

Weigh it out

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

Names and synonyms

4 names

Acetic acid, 2,2,2-triiodo-
Acetic acid, triiodo-
Triiodoacetic acid
Triiododoacetic acid

Work with 2,2,2-Triiodoacetic 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

1,3,5,7-Adamantanetetracarboxylic acid100884-80-843 % similar 2,2,3,3-Tetrafluorobutanedioic acid377-38-843 % similar Dimethylmalonic acid595-46-043 % similar 1,1-Cyclopropanedicarboxylic acid598-10-743 % similar Tribromoacetic acid75-96-743 % similar Trichloroacetic acid76-03-943 % similar Trifluoroacetic acid76-05-143 % similar 2-Hydroxyisobutyric acid594-61-639 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook