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

C9H4BrCl2F3OCAS 175205-89-7335.93 g/mol

Open in Covalent MOL file
ClOBrClFFF
Alkyl halideAryl halideKetone

Properties

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

Hazards

Danger
Corrosive (GHS05)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

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-4'-(trifluoromethyl)acetophenone383-53-954 % 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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