chempirical

4-Bromo-2-(trifluoromethoxy)thiophenol

C7H4BrF3OSCAS 175278-15-6273.07 g/mol

Open in Covalent MOL file
BrOFFFSH
Alkyl halideAryl halideEtherThiol

Properties

Molecular formula
C7H4BrF3OS
Molar mass
273.07 g/mol
Exact mass
271.9118 Da
logP
3.64Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
175278-15-6
SMILES
C1=CC(=C(C=C1Br)OC(F)(F)F)S
InChIKey
WWZNHDMEBZHFTK-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrF3OS/c8-4-1-2-6(13)5(3-4)12-7(9,10)11/h1-3,13H

Weigh it out

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

Work with 4-Bromo-2-(trifluoromethoxy)thiophenol

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-Bromo-2-fluoro-1-(trifluoromethoxy)benzene105529-58-659 % similar N-[4-Bromo-2-(trifluoromethoxy)phenyl]acetamide175278-18-949 % similar 1-Bromo-4-(trifluoromethoxy)benzene407-14-748 % similar 1-Bromo-3-(trifluoromethoxy)benzene2252-44-047 % similar Bromoveratrole2859-78-140 % similar 6-Bromo-1,4-benzodioxane52287-51-137 % similar 3-(Trifluoromethoxy)benzenethiol220239-66-737 % similar 4-Bromo-2-methoxybenzenamine59557-91-437 % similar

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

Elsewhere

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