4-Chloroindan-1-one

C9H7ClOCAS 15115-59-0166.60 g/mol

Open in Covalent MOL file
OCl
Aryl halideKetone

Properties

Molecular formula
C9H7ClO
Molar mass
166.60 g/mol
Exact mass
166.0185 Da
Melting point
89–90 °C
logP
2.47Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
15115-59-0
SMILES
O=C1CCc2c(Cl)cccc21
InChIKey
MYCZDIIPHIGLCH-UHFFFAOYSA-N
InChI
InChI=1S/C9H7ClO/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-chloro-2,3-dihydro-
  • 1-Indanone, 4-chloro-
  • 4-Chloro-2,3-dihydro-1H-inden-1-one
  • 4-Chloroindanone

Work with 4-Chloroindan-1-one

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-Bromo-1-indanone15115-60-363 % 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 4-Nitroindan-1-one24623-25-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cinnamoyl chloride102-92-1 6-Chloro-1-indanone14548-38-0 7-Chloro-2,3-dihydro-1H-inden-1-one34911-25-6 3-(4-Chloro-phenyl)-prop-2-yn-1-ol37614-57-6 5-Chloro-1-indanone42348-86-7 4-Chlorocinnamaldehyde49678-02-6 3-Chlorocinnamaldehyde56578-37-1

Elsewhere

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