2-Iododibenzofuran

C₁₂H₇IOCAS 5408-56-0294.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₇IO
Molar mass: 294.09 g/mol
Exact mass: 293.9542 Da
logP: 4.19Crippen estimate
Polar surface area: 13.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed97.4% of notifiers
H319 Causes serious eye irritation97.4% of notifiers
H413 May cause long lasting harmful effects to aquatic life100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

5408-56-0

SMILES

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)I

InChIKey

MNKSJEJNCQWHFE-UHFFFAOYSA-N

InChI

InChI=1S/C12H7IO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H

Weigh it out

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

Work with 2-Iododibenzofuran

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

Dibenzofuran132-64-958 % similar 2-Bromodibenzofuran86-76-055 % similar 2-Dibenzofuranol86-77-155 % similar Dibenzo(b,d)furan-2-ylboronic Acid (contains varying amounts of Anhydride)402936-15-650 % similar Dibenzofuran-2-sulphonic acid83863-63-246 % similar 3-Iodocarbazole16807-13-945 % similar 2-Iododibenzothiophene177586-41-345 % similar 3-Bromodibenzofuran26608-06-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Iododibenzofuran65344-26-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook