1-(3-Bromo-2-fluorophenyl)ethanone

C₈H₆BrFOCAS 161957-61-5217.04 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₈H₆BrFO
Molar mass: 217.04 g/mol
Exact mass: 215.9586 Da
logP: 2.79Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

161957-61-5

SMILES

CC(=O)c1cccc(Br)c1F

InChIKey

GSLFYQYBXIVNLS-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrFO/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,1H3

Weigh it out

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Names and synonyms

3 names

Ethanone, 1-(3-bromo-2-fluorophenyl)-
3-Bromo-2-fluoroacetophenone
1-(3-Bromo-2-fluorophenyl)ethan-1-one

Work with 1-(3-Bromo-2-fluorophenyl)ethanone

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',3'-Difluoroacetophenone18355-80-166 % similar 1-(3-Chloro-2-fluorophenyl)ethan-1-one161957-59-164 % similar 2′-Bromoacetophenone2142-69-063 % similar 1-(3-Bromo-2-hydroxyphenyl)ethanone1836-05-161 % similar 3-Bromo-2-fluorobenzoic acid161957-56-859 % similar Methyl 3-bromo-2-fluorobenzoate206551-41-958 % similar 1-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one207853-63-258 % similar 3'-Bromo-2'-methoxyacetophenone267651-23-056 % similar

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

Same formula

1-(2-Bromo-5-fluorophenyl)ethanone1006-33-3 1-(2-Bromo-4-fluorophenyl)ethanone1006-39-9 1-(3-Bromo-4-fluorophenyl)ethanone1007-15-4 2-Bromo-6-fluoro-3-methylbenzaldehyde154650-16-5 1-(5-Bromo-2-fluorophenyl)ethanone198477-89-3 1-(4-Bromo-3-fluorophenyl)ethan-1-one304445-49-6 2-Bromo-1-(4-fluorophenyl)ethan-1-one403-29-2 3-Fluorophenacyl bromide53631-18-8

Elsewhere

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