7-Bromo-2,3-dihydro-1H-inden-1-one

C₉H₇BrOCAS 125114-77-4211.06 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₉H₇BrO
Molar mass: 211.06 g/mol
Exact mass: 209.9680 Da
logP: 2.58Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

125114-77-4

SMILES

O=C1CCc2cccc(Br)c21

InChIKey

ZWEODBMKCBWTTQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H7BrO/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3H,4-5H2

Weigh it out

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

Names and synonyms

2 names

1H-Inden-1-one, 7-bromo-2,3-dihydro-
7-Bromo-1-indanone

Work with 7-Bromo-2,3-dihydro-1H-inden-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

7-Chloro-2,3-dihydro-1H-inden-1-one34911-25-663 % similar 4-Bromo-7-fluoro-2,3-dihydroinden-1-one1003048-72-347 % similar 1,2,6,7-Tetrahydro-8H-indeno[5,4-B]furan-8-one196597-78-147 % similar 8-Methoxy-3,4-dihydronaphthalen-1(2H)-one13185-18-745 % similar 5-Chloro-1-indanone42348-86-739 % similar Pyroquilon57369-32-139 % similar 5,7-Difluoro-2,3-dihydro-1H-inden-1-one84315-25-338 % similar 2-Bromophenylacetic acid18698-97-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Bromo-1-indanone15115-60-3 5-Bromo-1-indanone34598-49-7 α-Bromocinnamaldehyde5443-49-2

Elsewhere

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