chempirical

2'-Iodoacetophenone

C8H7IOCAS 2142-70-3246.05 g/mol

Open in Covalent MOL file
OI
Aryl halideKetone

Properties

Molecular formula
C8H7IO
Molar mass
246.05 g/mol
Exact mass
245.9542 Da
logP
2.49Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
2142-70-3
SMILES
CC(=O)C1=CC=CC=C1I
InChIKey
XDXCBCXNCQGZPG-UHFFFAOYSA-N
InChI
InChI=1S/C8H7IO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3

Weigh it out

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

Work with 2'-Iodoacetophenone

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-Diacetylbenzene704-00-767 % similar 2′-Methylacetophenone577-16-261 % similar 2′-Bromoacetophenone2142-69-055 % similar 1-(5-Fluoro-2-iodophenyl)ethanone914225-70-055 % similar 2'-Hydroxyacetophenone104809-67-853 % similar 2′-Hydroxyacetophenone118-93-453 % similar 2′-Chloroacetophenone2142-68-953 % similar 2′-Fluoroacetophenone445-27-253 % similar

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

Same formula

4-Iodoacetophenone13329-40-3 3-Iodoacetophenone14452-30-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook