2-(Trifluoromethoxy)benzyl bromide

C₈H₆BrF₃OCAS 198649-68-2255.03 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₈H₆BrF₃O
Molar mass: 255.03 g/mol
Exact mass: 253.9554 Da
logP: 3.48Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

198649-68-2

SMILES

C1=CC=C(C(=C1)CBr)OC(F)(F)F

InChIKey

TUNSVUOTVLWNQT-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrF3O/c9-5-6-3-1-2-4-7(6)13-8(10,11)12/h1-4H,5H2

Weigh it out

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

Work with 2-(Trifluoromethoxy)benzyl 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

2-(Trifluoromethoxy)benzenemethanamine175205-64-863 % similar 2-(Trifluoromethoxy)benzenemethanol175278-07-663 % similar 2-Triflnoromethoxybenzyl cyanide137218-25-859 % similar 2-(Trifluoromethoxy)benzeneacetic acid220239-67-854 % similar 1-Fluoro-2-(trifluoromethoxy)benzene2106-18-552 % similar 2-Trifluoromethoxyaniline1535-75-748 % similar 1-Iodo-2-(trifluoromethoxy)benzene175278-00-948 % similar 2-(Trifluoromethoxy)thiophenol175278-01-048 % similar

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

Same formula

4-Bromo-1-methoxy-2-(trifluoromethyl)benzene1514-11-0 1-(Bromomethyl)-3-(trifluoromethoxy)benzene159689-88-0 1-Bromo-4-methoxy-2-(trifluoromethyl)benzene400-72-6 4-Trifluoromethoxybenzyl bromide50824-05-0

Elsewhere

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