chempirical

5-Iodo-1-indanone

C9H7IOCAS 511533-38-3258.06 g/mol

Open in Covalent MOL file
OI
Aryl halideKetone

Properties

Molecular formula
C9H7IO
Molar mass
258.06 g/mol
Exact mass
257.9542 Da
logP
2.42Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

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
511533-38-3
SMILES
C1CC(=O)C2=C1C=C(C=C2)I
InChIKey
XVDWDHAAIWZKRU-UHFFFAOYSA-N
InChI
InChI=1S/C9H7IO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2

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Names and synonyms

1 names
  • 5-Iodoindan-1-one

Work with 5-Iodo-1-indanone

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-Indanone83-33-053 % similar 1-Indanone-6-carboxylic acid60031-08-543 % similar 1-Tetralone529-34-042 % similar 1-(2,4-Dichlorophenyl)-1-butanone66353-47-732 % similar 1-(2,4-Dichlorophenyl)-1-pentanone61023-66-330 % similar 1-(4-Iodophenyl)piperidin-2-one385425-15-030 % similar

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

Elsewhere

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