chempirical

3-Iodophthalic anhydride

C8H3IO3CAS 28418-88-4274.01 g/mol

Open in Covalent MOL file
OOOI
Acid anhydrideAryl halide

Properties

Molecular formula
C8H3IO3
Molar mass
274.01 g/mol
Exact mass
273.9127 Da
Melting point
159–161 °C
logP
1.60Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
28418-88-4
SMILES
O=C1OC(=O)c2c(I)cccc21
InChIKey
SKHCDRLTAOLKHQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H3IO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H

Weigh it out

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

Names and synonyms

7 names
  • 1,3-Isobenzofurandione, 4-iodo-
  • Phthalic anhydride, 3-iodo-
  • 4-Iodo-1,3-isobenzofurandione
  • NSC 135150
  • 4-Iodo-2-benzofuran-1,3-dione
  • 3-Iodophthalic acid anhydride
  • 4-Iodoisobenzofuran-1,3-dione

Work with 3-Iodophthalic anhydride

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-Methylphthalic anhydride4792-30-763 % similar 3-Chlorophthalic anhydride117-21-559 % similar 3-Hydroxyphthalic anhydride37418-88-558 % similar 3-Fluorophthalic anhydride652-39-158 % similar Phthalic anhydride85-44-954 % similar 2,3′,3,4′-Biphenyltetracarboxylic dianhydride36978-41-350 % similar 1,8-Naphthalic anhydride81-84-550 % similar Methyl 2-iodobenzoate610-97-949 % similar

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

Elsewhere

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