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

C₈H₆BrFOCAS 304445-49-6217.04 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

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

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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 4-Fluoro-3-methylacetophenone369-32-457 % similar 1-[3-Fluoro-4-(trifluoromethyl)phenyl]ethanone237761-81-857 % similar 1-(3-Fluoro-4-methoxyphenyl)ethanone455-91-457 % similar 4-Fluoro-3-amino-acetophenone2002-82-656 % similar 1-(3-Chloro-4-fluorophenyl)ethanone2923-66-256 % 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 4-Fluorophenacyl bromide403-29-2 2-Bromo-1-(2-fluorophenyl)ethanone655-15-2

Elsewhere

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