3,4,5-Trifluorobenzyl bromide

C₇H₄BrF₃CAS 220141-72-0225.01 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₄BrF₃
Molar mass: 225.01 g/mol
Exact mass: 223.9448 Da
logP: 3.00Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

220141-72-0

SMILES

Fc1cc(CBr)cc(F)c1F

InChIKey

MPEKZIYOLQCWLL-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrF3/c8-3-4-1-5(9)7(11)6(10)2-4/h1-2H,3H2

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

Names and synonyms

2 names

Benzene, 5-(bromomethyl)-1,2,3-trifluoro-
5-(Bromomethyl)-1,2,3-trifluorobenzene

Work with 3,4,5-Trifluorobenzyl 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

3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene53001-73-360 % similar 3,4-Difluorobenzyl bromide85118-01-058 % similar 3,4,5-Trifluorobenzenemethanamine235088-69-454 % similar 1-Bromo-4-(bromomethyl)-2-fluorobenzene127425-73-452 % similar 4-(Bromomethyl)-1-chloro-2-fluorobenzene206362-80-350 % similar 5-Bromo-1,2,3-trifluorobenzene138526-69-948 % similar 1,2,3,5-Tetrafluorobenzene2367-82-046 % similar 2,3-Difluorobenzyl bromide113211-94-245 % similar

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

Same formula

1-Bromo-2-(trifluoromethyl)benzene392-83-6 1-Bromo-3-(trifluoromethyl)benzene401-78-5 1-Bromo-4-(trifluoromethyl)benzene402-43-7

Elsewhere

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