1-(4-Bromo-3-fluorophenyl)ethan-1-one

C8H6BrFOCAS 304445-49-6217.04 g/mol

Open in Covalent MOL file
OBrF
Aryl halideKetone

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
304445-49-6
SMILES
CC(=O)C1=CC(=C(C=C1)Br)F
InChIKey
VCTWSAITPPCBHI-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrFO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3

Weigh it out

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Names and synonyms

1 names
  • 3-Fluoro-4-bromo-acetophenone

Work with 1-(4-Bromo-3-fluorophenyl)ethan-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

1-(3,4-Difluorophenyl)ethanone369-33-568 % similar 4'-Chloro-3'-fluoroacetophenone151945-84-560 % similar 4-Bromo-3-fluorobenzoic acid153556-42-460 % similar 1-(3-Fluoro-4-hydroxyphenyl)ethan-1-one403-14-560 % similar 4-Fluoro-3-methylacetophenone369-32-457 % similar 1-(3-Bromo-4-methylphenyl)ethan-1-one40180-80-157 % similar 1-[3-Fluoro-4-(trifluoromethyl)phenyl]ethanone237761-81-857 % similar 1-(3-Fluoro-4-methoxyphenyl)ethanone455-91-457 % 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-(5-Bromo-2-fluorophenyl)ethanone198477-89-3 2-Bromo-1-(4-fluorophenyl)ethan-1-one403-29-2 3-Fluorophenacyl bromide53631-18-8

Elsewhere

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