4-(Trifluoromethoxy)phenacyl bromide

C9H6BrF3O2CAS 103962-10-3283.04 g/mol

Open in Covalent MOL file
OBrOFFF
Alkyl halideEtherKetone

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P501

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

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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-4'-(trifluoromethyl)acetophenone383-53-958 % similar 2-Bromo-1-(4-(difluoromethoxy)phenyl)ethan-1-one141134-24-958 % similar 4-(Trifluoromethoxy)benzamide456-71-356 % similar 1,1′-[1,1′-Biphenyl]-4,4′-diylbis[2-bromoethanone]4072-67-755 % similar 2-Bromo-1-(4-fluorophenyl)ethan-1-one403-29-254 % similar 4-(Trifluoromethoxy)benzoic acid330-12-154 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 3-bromo-5-(trifluoromethyl)benzoate187331-46-0 Methyl 3-bromo-4-(trifluoromethyl)benzoate455941-82-9

Elsewhere

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