6-Chloro-1-indanone

C9H7ClOCAS 14548-38-0166.60 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
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 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
14548-38-0
SMILES
C1CC(=O)C2=C1C=CC(=C2)Cl
InChIKey
SMSGJDOJSQHQIW-UHFFFAOYSA-N
InChI
InChI=1S/C9H7ClO/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
  • 6-Chloro-1-indanone 96

Work with 6-Chloro-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

7-Chloro-1,2,3,4-tetrahydronaphthalen-1-one26673-32-581 % similar 6-Chloro-1-tetralone26673-31-460 % similar 6-Bromoindanone14548-39-159 % similar 6-Fluoro-1-indanone1481-32-959 % similar 6-Methyl-1-indanone24623-20-959 % similar 6-Hydroxy-1-indanone62803-47-859 % similar 6-Methoxy-1-indanone13623-25-154 % similar 6-Chlorothiochroman-4-one13735-12-154 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cinnamoyl chloride102-92-1 4-Chloroindan-1-one15115-59-0 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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