4-Bromo-1-indanone

C₉H₇BrOCAS 15115-60-3211.06 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₉H₇BrO
Molar mass: 211.06 g/mol
Exact mass: 209.9680 Da
Melting point: 94–95 °C
logP: 2.58Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

15115-60-3

SMILES

O=C1CCc2c(Br)cccc21

InChIKey

UVVYFYLSZIMKMC-UHFFFAOYSA-N

InChI

InChI=1S/C9H7BrO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2

Weigh it out

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

Names and synonyms

4 names

1H-Inden-1-one, 4-bromo-2,3-dihydro-
1-Indanone, 4-bromo-
4-Bromo-2,3-dihydro-1H-inden-1-one
NSC 162080

Work with 4-Bromo-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

4-Chloroindan-1-one15115-59-063 % similar 4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-756 % similar 2,3-Dihydro-1-oxo-1H-indene-4-carbonitrile60899-34-556 % similar 4-Nitro-1-indanone24623-25-453 % similar 4-Bromo-7-fluoro-2,3-dihydroinden-1-one1003048-72-351 % similar 5-Hydroxy-1-tetralone28315-93-749 % similar 5-Methoxy-1-tetralone33892-75-045 % similar 2′-Hydroxydihydrochalcone3516-95-842 % similar

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

Same formula

7-Bromo-2,3-dihydro-1H-inden-1-one125114-77-4 6-Bromoindanone14548-39-1 5-Bromo-1-indanone34598-49-7 α-Bromocinnamaldehyde5443-49-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook