4-Bromo-7-fluoro-2,3-dihydroinden-1-one

C₉H₆BrFOCAS 1003048-72-3229.05 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₉H₆BrFO
Molar mass: 229.05 g/mol
Exact mass: 227.9586 Da
logP: 2.72Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed75% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation75% 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1003048-72-3

SMILES

C1CC(=O)C2=C(C=CC(=C21)Br)F

InChIKey

HNXHWYGTXAJDEC-UHFFFAOYSA-N

InChI

InChI=1S/C9H6BrFO/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3H,1,4H2

Weigh it out

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

Names and synonyms

1 names

4-Bromo-7-fluoroindan-1-one

Work with 4-Bromo-7-fluoro-2,3-dihydroinden-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

4-Fluoro-7-hydroxy-1-indanone136191-16-754 % similar 4-Bromo-1-indanone15115-60-351 % similar 7-Fluoroindan-1-one651735-59-050 % similar 7-Bromo-2,3-dihydro-1H-inden-1-one125114-77-447 % similar 4-Fluoro-1-indanone699-99-046 % similar 3-Bromo-2,6-difluorobenzoic acid28314-81-044 % similar 3'-Bromo-4'-fluoropropiophenone202865-82-542 % similar 4,6-Difluoro-2,3-dihydro-1H-inden-1-one162548-73-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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