2-Iodobenzophenone

C₁₃H₉IOCAS 25187-00-2308.12 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₃H₉IO
Molar mass: 308.12 g/mol
Exact mass: 307.9698 Da
logP: 3.52Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

25187-00-2

SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2I

InChIKey

MEIFVWINIHKENC-UHFFFAOYSA-N

InChI

InChI=1S/C13H9IO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H

Weigh it out

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

Work with 2-Iodobenzophenone

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

1,2-Dibenzoylbenzene1159-86-068 % similar 2-Methylbenzophenone131-58-860 % similar 2-Bromobenzophenone13047-06-857 % similar Benzophenone119-61-956 % similar 2-Hydroxybenzophenone117-99-755 % similar 2-Aminobenzophenone2835-77-055 % similar 2-Fluorobenzophenone342-24-555 % similar 2-Chlorobenzophenone5162-03-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Iodobenzophenone6136-66-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook