chempirical

3,5-Diiodo-4-hydroxybenzoic acid

C7H4I2O3CAS 618-76-8389.91 g/mol

Open in Covalent MOL file
OHOIOHI
Aryl halideCarboxylic acidPhenol

Properties

Molecular formula
C7H4I2O3
Molar mass
389.91 g/mol
Exact mass
389.8250 Da
Melting point
237 °C
logP
2.30Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
618-76-8
SMILES
O=C(O)c1cc(I)c(O)c(I)c1
InChIKey
XREKTVACBXQCSB-UHFFFAOYSA-N
InChI
InChI=1S/C7H4I2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)

Weigh it out

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

Names and synonyms

5 names
  • Benzoic acid, 4-hydroxy-3,5-diiodo-
  • 4-Hydroxy-3,5-diiodobenzoic acid
  • Ioxynil acid
  • M And B 10903
  • NSC 1497

Work with 3,5-Diiodo-4-hydroxybenzoic 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

4-Amino-3,5-diiodobenzoic acid2122-61-463 % similar 4-Hydroxy-3,5-dimethylbenzoic acid4919-37-360 % similar Gallic acid149-91-759 % similar 3-Hydroxy-2,4,6-triiodobenzoic acid53279-72-458 % similar Trimesic acid554-95-056 % similar 3,5-Diiodobenzoic acid19094-48-555 % similar 3,5-Dichloro-4-hydroxybenzoic acid3336-41-255 % similar 3,5-Dibromo-4-hydroxybenzoic acid3337-62-055 % similar

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

Same formula

3,5-Diiodosalicylic acid133-91-5

Elsewhere

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