4-Bromo-2-(trifluoromethoxy)thiophenol

C₇H₄BrF₃OSCAS 175278-15-6273.07 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether Thiol

Properties

Molecular formula: C₇H₄BrF₃OS
Molar mass: 273.07 g/mol
Exact mass: 271.9118 Da
logP: 3.64Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

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

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

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-(trifluoromethoxy)aniline175278-09-860 % similar 4-Bromo-2-(trifluoromethoxy)iodobenzene175278-12-360 % similar 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene105529-58-659 % similar 5-Bromo-2-(trifluoromethoxy)aniline886762-08-956 % similar 4-Bromo-2-(trifluoromethoxy)benzaldehyde220996-80-555 % similar 2-(Trifluoromethoxy)thiophenol175278-01-055 % similar 5-Bromo-2-(trifluoromethoxy)benzaldehyde923281-52-153 % similar 4-Bromo-2-(trifluoromethoxy)benzene-1-sulfonyl chloride175278-14-551 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook