chempirical

2,4,5-Trifluorobenzyl bromide

C7H4BrF3CAS 157911-56-3225.01 g/mol

Open in Covalent MOL file
FFFBr
Alkyl halideAryl 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 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
157911-56-3
SMILES
C1=C(C(=CC(=C1F)F)F)CBr
InChIKey
GAUXEYCSWSMMFZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrF3/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2H,3H2

Weigh it out

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Work with 2,4,5-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

2,4-Difluorobenzyl bromide23915-07-356 % similar 2,5-Difluorobenzyl bromide85117-99-356 % similar 4-Bromo-2-fluorobenzyl bromide76283-09-554 % similar 1-(Chloromethyl)-2,4,5-trifluorobenzene243139-71-152 % similar 4-Chloro-2-fluorobenzyl bromide71916-82-052 % similar 2-Fluorobenzyl bromide446-48-050 % similar 3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene53001-73-350 % similar 2-(Bromomethyl)-1-fluoro-4-(trifluoromethyl)benzene220239-69-048 % similar

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

Same formula

2,4,6-Trifluorobenzyl bromide151411-98-2 2,3,6-Trifluorobenzyl bromide151412-02-1 1-(Bromomethyl)-2,3,4-trifluorobenzene157911-55-2 3,4,5-Trifluorobenzyl bromide220141-72-0 2,3,5-Trifluorobenzyl bromide226717-83-5 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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