2,6-Dichloro-4-(trifluoromethyl)phenacyl bromide

C₉H₄BrCl₂F₃OCAS 175205-89-7335.93 g/mol

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Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₉H₄BrCl₂F₃O
Molar mass: 335.93 g/mol
Exact mass: 333.8775 Da
logP: 4.59Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

175205-89-7

SMILES

C1=C(C=C(C(=C1Cl)C(=O)CBr)Cl)C(F)(F)F

InChIKey

MSMAFPRJZLLQNJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H4BrCl2F3O/c10-3-7(16)8-5(11)1-4(2-6(8)12)9(13,14)15/h1-2H,3H2

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Names and synonyms

1 names

2-Bromo-2',6'-dichloro-4'-(trifluoromethyl)-acetophenone

Work with 2,6-Dichloro-4-(trifluoromethyl)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',5'-Bis(trifluoromethyl)-2-bromoacetophenone131805-94-263 % similar 2,6-Dichloro-4-(trifluoromethyl)benzamide157021-70-058 % similar 1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]ethanone175205-88-657 % similar 2-Bromo-1-[3-(trifluoromethyl)phenyl]ethanone2003-10-356 % similar 2-Bromo-1-[4-(trifluoromethyl)phenyl]ethanone383-53-954 % similar 2,6-Dichloro-4-(trifluoromethyl)phenylacetic acid132992-36-049 % similar 4-Bromo-3,5-dichlorobenzotrifluoride118754-53-349 % similar 2-Bromo-1-(2-chlorophenyl)ethanone5000-66-847 % similar

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

Elsewhere

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