3,5-Diiodobenzoic acid

C₇H₄I₂O₂CAS 19094-48-5373.92 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₄I₂O₂
Molar mass: 373.92 g/mol
Exact mass: 373.8301 Da
Melting point: 235 °C
logP: 2.59Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

19094-48-5

SMILES

O=C(O)c1cc(I)cc(I)c1

InChIKey

FHTJRJBWLBXVPO-UHFFFAOYSA-N

InChI

InChI=1S/C7H4I2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)

Weigh it out

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

Names and synonyms

3 names

Benzoic acid, 3,5-diiodo-
3,5-Diiodobenzoate
NSC 149429

Work with 3,5-Diiodobenzoic 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-Bromo-5-iodobenzoic acid188815-32-974 % similar Trimesic acid554-95-064 % similar 3,5-Diiodo-4-hydroxybenzoic acid618-76-855 % similar 4-Amino-3,5-diiodobenzoic acid2122-61-453 % similar 5-Bromo-1,3-benzenedicarboxylic acid23351-91-952 % similar 3,5-Dibromobenzoic acid618-58-652 % similar 5-Hydroxyisophthalic acid618-83-752 % similar Terephthalic acid100-21-050 % similar

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

Same formula

2,5-Diiodobenzoic acid14192-12-2 4-Hydroxy-3,5-diiodobenzaldehyde1948-40-9 3,5-Diiodosalicylaldehyde2631-77-8

Elsewhere

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