chempirical

2-Iodobenzoic acid

C7H5IO2CAS 88-67-5248.02 g/mol

Open in Covalent MOL file
OHOI
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H5IO2
Molar mass
248.02 g/mol
Exact mass
247.9334 Da
Melting point
163 °C
logP
1.99Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
88-67-5
SMILES
O=C(O)c1ccccc1I
InChIKey
CJNZAXGUTKBIHP-UHFFFAOYSA-N
InChI
InChI=1S/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)

Weigh it out

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

Names and synonyms

5 names
  • Benzoic acid, 2-iodo-
  • Benzoic acid, o-iodo-
  • o-Iodobenzoic acid
  • NSC 3772
  • 2-Carboxyphenyl iodide

Work with 2-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

Phthalic acid88-99-367 % similar 2-Amino-3-iodobenzoic acid20776-55-065 % similar Ammonium phthalate523-24-059 % similar 2-Iodobenzamide3930-83-459 % similar 2,5-Diiodobenzoic acid14192-12-258 % similar Salicylic acid69-72-755 % similar 2-Bromobenzoic acid88-65-355 % similar 4-Bromo-2-iodobenzoic acid1133123-02-055 % similar

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

Same formula

3-Hydroxy-4-iodobenzaldehyde135242-71-6 5-Iodosalicylaldehyde1761-62-2 3-Iodobenzoic acid618-51-9 4-Iodobenzoic acid619-58-9

Elsewhere

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