chempirical

2-Iodobenzophenone

C13H9IOCAS 25187-00-2308.12 g/mol

Open in Covalent MOL file
OI
Aryl halideKetone

Properties

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

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook