6-Bromoindanone

C₉H₇BrOCAS 14548-39-1211.06 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
logP: 2.58Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

14548-39-1

SMILES

C1CC(=O)C2=C1C=CC(=C2)Br

InChIKey

SEQHEDQNODAFIU-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

1-Indanone, 6-bromo-

Work with 6-Bromoindanone

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

6-Hydroxyindan-1-one62803-47-864 % similar 6-Methoxy-1-indanone13623-25-154 % similar 6-Bromo-2-tetralone4133-35-153 % similar 3,4-Dihydro-7-hydroxy-1(2H)-naphthalenone22009-38-751 % similar 6-Nitroindanone24623-24-351 % similar 7-Methyl-1-tetralone22009-37-647 % similar 7-Chloro-3,4-dihydro-1(2H)-naphthalenone26673-32-547 % similar 5-Chloro-1-indanone42348-86-746 % 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 4-Bromo-1-indanone15115-60-3 5-Bromo-1-indanone34598-49-7 α-Bromocinnamaldehyde5443-49-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook