chempirical

5-Bromo-1-indanone

C9H7BrOCAS 34598-49-7211.06 g/mol

Open in Covalent MOL file
OBr
Aryl halideKetone

Properties

Molecular formula
C9H7BrO
Molar mass
211.06 g/mol
Exact mass
209.9680 Da
Melting point
126 °C
logP
2.58Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
34598-49-7
SMILES
O=C1CCc2cc(Br)ccc21
InChIKey
KSONICAHAPRCMV-UHFFFAOYSA-N
InChI
InChI=1S/C9H7BrO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2

Weigh it out

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

Names and synonyms

6 names
  • 1H-Inden-1-one, 5-bromo-2,3-dihydro-
  • 1-Indanone, 5-bromo-
  • 5-Bromo-2,3-dihydro-1H-inden-1-one
  • 5-Bromoindanone
  • 5-Bromo-2,3-dihydroinden-1-one
  • 5-Bromo-2,3-indan-1-one

Work with 5-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

5-Chloro-1-indanone42348-86-759 % similar 5-Fluoro-1-indanone700-84-559 % similar 5-Methoxy-1-indanone5111-70-654 % similar 6-Bromo-2-tetralone4133-35-153 % similar 3,4-Dihydro-6-hydroxy-1(2H)-naphthalenone3470-50-651 % similar 6-Hydroxyindan-1-one62803-47-850 % similar 5-Bromophthalide64169-34-249 % similar 6-Chloro-1-tetralone26673-31-447 % 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 4-Bromo-1-indanone15115-60-3 α-Bromocinnamaldehyde5443-49-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook