2-Bromo-1-indanone

C₉H₇BrOCAS 1775-27-5211.06 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₉H₇BrO
Molar mass: 211.06 g/mol
Exact mass: 209.9680 Da
logP: 2.19Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

1775-27-5

SMILES

C1C(C(=O)C2=CC=CC=C21)Br

InChIKey

UXVCSPSWUNMPMT-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-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

2-Methyl-1-tetralone1590-08-547 % similar 2-Acetyl-1-tetralone17216-08-944 % similar 2-Bromo-1-phenyl-pentan-1-one49851-31-242 % similar Dibenzosuberone1210-35-141 % similar Anthrone90-44-841 % similar (2S)-2-Bromo-3-phenylpropanoic acid35016-63-841 % similar 2-Bromo-1-phenylhexan-1-one59774-06-040 % similar Phenindione83-12-539 % 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 4-Bromo-1-indanone15115-60-3 3-(3-Bromophenyl)prop-2-yn-1-ol170859-80-0 5-Bromo-1-indanone34598-49-7 α-Bromocinnamaldehyde5443-49-2 4-Bromo-2-indanone846032-36-8

Elsewhere

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