4-Iodobenzophenone

C₁₃H₉IOCAS 6136-66-9308.12 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

6136-66-9

SMILES

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

InChIKey

OCAJMURFVZWFPX-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4-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

1,4-Dibenzoylbenzene3016-97-573 % similar Benzophenone119-61-968 % similar 4-Phenylbenzophenone2128-93-062 % similar 1,3,5-Tribenzoylbenzene25871-69-660 % similar 1,3-Dibenzoylbenzene3770-82-958 % similar 4-Aminobenzophenone1137-41-357 % similar 4-Hydroxybenzophenone1137-42-457 % similar 4-Methylbenzophenone134-84-957 % similar

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

Same formula

2-Iodobenzophenone25187-00-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook