1-(5-Bromo-2-fluorophenyl)ethanone

C₈H₆BrFOCAS 198477-89-3217.04 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

H302 Harmful if swallowed72.7% of notifiers
H315 Causes skin irritation45.5% of notifiers
H319 Causes serious eye irritation45.5% of notifiers
H335 May cause respiratory irritation36.4% of notifiers

Aggregated from 11 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

198477-89-3

SMILES

CC(=O)c1cc(Br)ccc1F

InChIKey

XNRQIHIOKXQSPG-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

Ethanone, 1-(5-bromo-2-fluorophenyl)-
1-(2-Fluoro-5-bromophenyl)ethanone
1-(5-Bromo-2-fluorophenyl)-1-ethanone
5-Bromo-2-fluoroacetophenone
5′-Bromo-2′-fluoroacetophenone

Work with 1-(5-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

1-(4-Bromo-2-fluorophenyl)ethan-1-one625446-22-275 % similar 1-(2,5-Difluorophenyl)ethanone1979-36-864 % similar 2'-Fluoro-5'-methylacetophenone446-07-162 % similar 5′-Bromo-2′-hydroxyacetophenone1450-75-560 % similar 5-Bromo-2-fluorobenzoic acid146328-85-060 % similar 2'-Fluoro-5'-(trifluoromethyl)acetophenone202664-53-757 % similar 2′,4′,5′-Trifluoroacetophenone129322-83-456 % similar 1-(4-Bromo-2-hydroxyphenyl)ethan-1-one30186-18-656 % 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-(3-Bromo-2-fluorophenyl)ethanone161957-61-5 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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