1-(Bromomethyl)-3-(trifluoromethoxy)benzene

C₈H₆BrF₃OCAS 159689-88-0255.03 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

159689-88-0

SMILES

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

InChIKey

QSIVWRRHVXSDNE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3-(Trifluoromethoxy)benzyl bromide

Work with 1-(Bromomethyl)-3-(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

2-(3-(Trifluoromethoxy)phenyl)acetonitrile108307-56-859 % similar 1-Bromo-3-(trifluoromethoxy)benzene2252-44-056 % similar 3-Phenoxybenzyl bromide51632-16-756 % similar 4-(Bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene261763-18-255 % similar 3-(Trifluoromethoxy)fluorobenzene1077-01-655 % similar 3-(Trifluoromethoxy)benzenethiol220239-66-753 % similar 3-Benzyloxybenzyl bromide1700-31-853 % similar 1,3-Bis(bromomethyl)benzene626-15-352 % similar

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

Same formula

4-Bromo-1-methoxy-2-(trifluoromethyl)benzene1514-11-0 4-Trifluoromethoxybenzyl bromide50824-05-0

Elsewhere

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