4-Bromo-1-indanone

C9H7BrOCAS 15115-60-3211.06 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
94–95 °C
logP
2.58Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

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

5-Bromo-1-tetralone68449-30-980 % similar 4-Chloroindan-1-one15115-59-063 % similar 4-Methyl-1-indanone24644-78-861 % similar 4-Hydroxyindan-1-one40731-98-461 % similar 4-Fluoro-1-indanone699-99-061 % 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-(Trifluoromethyl)-1-indanone68755-42-056 % 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 3-(3-Bromophenyl)prop-2-yn-1-ol170859-80-0 2-Bromo-1-indanone1775-27-5 5-Bromo-1-indanone34598-49-7 α-Bromocinnamaldehyde5443-49-2 4-Bromo-2-indanone846032-36-8

Elsewhere

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