chempirical

Iodoacetic acid

C2H3IO2CAS 64-69-7185.95 g/mol

Open in Covalent MOL file
OHOI
Alkyl halideCarboxylic acid

Properties

Molecular formula
C2H3IO2
Molar mass
185.95 g/mol
Exact mass
185.9178 Da
Melting point
82–83 °C
logP
0.51Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
64-69-7
SMILES
O=C(O)CI
InChIKey
JDNTWHVOXJZDSN-UHFFFAOYSA-N
InChI
InChI=1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)

Weigh it out

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

Names and synonyms

8 names
  • Acetic acid, 2-iodo-
  • Acetic acid, iodo-
  • 2-Iodoacetic acid
  • MIA
  • Monoiodoacetic acid
  • NSC 2125
  • CH2ICOOH
  • Iodoacetates

Work with Iodoacetic 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-Iodopropionic acid141-76-452 % similar Glutaric acid110-94-145 % similar Polyglycolide26124-68-545 % similar Glycolic acid79-14-145 % similar Pimelic acid111-16-043 % similar Thiodiglycolic acid123-93-343 % similar Nitrilotriacetic acid139-13-943 % similar Iminodiacetic acid142-73-443 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia