chempirical

2-Bromo-5-(trifluoromethoxy)phenol

C7H4BrF3O2CAS 205371-26-2257.01 g/mol

Open in Covalent MOL file
OFFFOHBr
Alkyl halideAryl halideEtherPhenol

Properties

Molecular formula
C7H4BrF3O2
Molar mass
257.01 g/mol
Exact mass
255.9347 Da
logP
3.05Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
205371-26-2
SMILES
C1=CC(=C(C=C1OC(F)(F)F)O)Br
InChIKey
RHRRKORKKIVAGJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrF3O2/c8-5-2-1-4(3-6(5)12)13-7(9,10)11/h1-3,12H

Weigh it out

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

Work with 2-Bromo-5-(trifluoromethoxy)phenol

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

1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene168971-68-462 % similar 1-Bromo-2-fluoro-5-(trifluoromethoxy)benzene286932-57-857 % similar 2-Bromo-5-methoxyphenol63604-94-456 % similar 2-Bromo-4-trifluoromethoxyaniline175278-17-856 % similar 5-Trifluoromethoxysalicylic acid129644-57-149 % similar 1-Bromo-4-(trifluoromethoxy)benzene407-14-748 % similar 4-(Trifluoromethoxy)phenol828-27-348 % similar 1-Bromo-3-(trifluoromethoxy)benzene2252-44-047 % similar

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

Elsewhere

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