4-(Trifluoromethoxy)phenacyl bromide

C₉H₆BrF₃O₂CAS 103962-10-3283.04 g/mol

Open in Covalent MOL file

Alkyl halide Ether Ketone

Properties

Molecular formula: C₉H₆BrF₃O₂
Molar mass: 283.04 g/mol
Exact mass: 281.9503 Da
logP: 3.16Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

103962-10-3

SMILES

C1=CC(=CC=C1C(=O)CBr)OC(F)(F)F

InChIKey

AOAGGWLQIILIIV-UHFFFAOYSA-N

InChI

InChI=1S/C9H6BrF3O2/c10-5-8(14)6-1-3-7(4-2-6)15-9(11,12)13/h1-4H,5H2

Weigh it out

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

Names and synonyms

1 names

2-Bromo-1-[4-(trifluoromethoxy)phenyl]ethan-1-one

Work with 4-(Trifluoromethoxy)phenacyl bromide

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

3-Oxo-3-[4-(trifluoromethoxy)phenyl]propanenitrile122454-46-062 % similar 4-Methoxyphenacyl bromide2632-13-558 % similar 2-Bromo-1-[4-(trifluoromethyl)phenyl]ethanone383-53-958 % similar 1,1′-[1,1′-Biphenyl]-4,4′-diylbis[2-bromoethanone]4072-67-755 % similar 4-Fluorophenacyl bromide403-29-254 % similar 4-(Trifluoromethoxy)benzoic acid330-12-154 % similar 4-Trifluoromethoxybenzoyl chloride36823-88-854 % similar 1-[4-(Trifluoromethoxy)phenyl]ethanone85013-98-554 % similar

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

Elsewhere

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