6-Chloro-1-indanone

C₉H₇ClOCAS 14548-38-0166.60 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₉H₇ClO
Molar mass: 166.60 g/mol
Exact mass: 166.0185 Da
logP: 2.47Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

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-3,4-dihydro-1(2H)-naphthalenone26673-32-581 % 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-Hydroxyindan-1-one62803-47-859 % 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 (2E)-3-(3-Chlorophenyl)-2-propenal56578-37-1

Elsewhere

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