chempirical

1-Bromo-4-(trifluoromethoxy)benzene

C7H4BrF3OCAS 407-14-7241.01 g/mol

Open in Covalent MOL file
FFFOBr
Alkyl halideAryl halideEther

Properties

Molecular formula
C7H4BrF3O
Molar mass
241.01 g/mol
Exact mass
239.9398 Da
logP
3.35Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
407-14-7
SMILES
FC(F)(F)Oc1ccc(Br)cc1
InChIKey
SEAOBYFQWJFORM-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrF3O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H

Weigh it out

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

Names and synonyms

11 names
  • Benzene, 1-bromo-4-(trifluoromethoxy)-
  • Anisole, p-bromo-α,α,α-trifluoro-
  • p-Bromophenyl trifluoromethyl ether
  • 4-Bromophenyl trifluoromethyl ether
  • p-(Trifluoromethoxy)bromobenzene
  • p-Bromo(trifluoromethoxy)benzene
  • 4-Trifluoromethoxybromobenzene
  • 4-Bromotrifluoromethoxybenzene
  • 4-Trifluoromethoxy-1-bromobenzene
  • 4-Trifluoromethoxyphenyl bromide
  • 1-Bromo-4-[(trifluoromethyl)oxy]benzene

Work with 1-Bromo-4-(trifluoromethoxy)benzene

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

4-(Trifluoromethoxy)phenol828-27-362 % similar 1-Bromo-4-(1,1,2,2-tetrafluoroethoxy)benzene68834-05-959 % similar 1-Fluoro-4-(trifluoromethoxy)benzene352-67-058 % similar (Trifluoromethoxy)benzene456-55-356 % similar 1-Iado-4-(trifluoromethoxy)benzene103962-05-656 % similar 1-Chloro-4-(trifluoromethoxy)benzene461-81-456 % similar 4-(Trifluoromethoxy)aniline461-82-556 % similar 1-Methoxy-4-(trifluoromethoxy)benzene710-18-956 % similar

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

Same formula

1-Bromo-3-(trifluoromethoxy)benzene2252-44-0

Elsewhere

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