4-Bromo-2-indanone

C₉H₇BrOCAS 846032-36-8211.06 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: 2.12Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

846032-36-8

SMILES

C1C(=O)CC2=C1C=CC=C2Br

InChIKey

SWTMVUZONAQICS-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

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

Work with 4-Bromo-2-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-Indanone615-13-456 % similar 4-Bromooxindole99365-48-744 % similar 2-Bromophenylacetic acid18698-97-043 % similar 1-(2-Bromophenyl)propan-2-one21906-31-043 % similar 3,4-Dihydro-5-methoxy-2(1H)-naphthalenone32940-15-143 % similar 2-Tetralone530-93-842 % similar 7-Bromo-2,3-dihydro-isoindol-1-one200049-46-341 % similar 4-Bromoisoindolin-1-one337536-15-941 % 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 2-Bromo-1-indanone1775-27-5 5-Bromo-1-indanone34598-49-7 α-Bromocinnamaldehyde5443-49-2

Elsewhere

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