chempirical

2,3,4,5-Tetrafluorobenzyl bromide

C7H3BrF4CAS 53001-71-1243.00 g/mol

Open in Covalent MOL file
FFFFBr
Alkyl halideAryl halide

Properties

Molecular formula
C7H3BrF4
Molar mass
243.00 g/mol
Exact mass
241.9354 Da
logP
3.14Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
53001-71-1
SMILES
C1=C(C(=C(C(=C1F)F)F)F)CBr
InChIKey
WTKVWOHBTGWNEO-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrF4/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1H,2H2

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Work with 2,3,4,5-Tetrafluorobenzyl 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

2,3,5-Trifluorobenzyl bromide226717-83-567 % similar 1-(Bromomethyl)-2,3,4-trifluorobenzene157911-55-263 % similar 2,4,5-Trifluorobenzyl bromide157911-56-358 % similar 2,3,4,5-Tetrafluorobenzenemethanol53072-18-757 % similar 3,4,5-Trifluorobenzyl bromide220141-72-056 % similar 3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene53001-73-356 % similar Pentafluorobenzene363-72-452 % similar 2,3-Difluorobenzyl bromide113211-94-252 % similar

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

Same formula

2-Bromo-3-fluorobenzotrifluoride104540-42-3 3-Bromo-5-fluorobenzotrifluoride130723-13-6 4-Bromo-2-fluorobenzotrifluoride142808-15-9 3-Bromo-2-fluorobenzotrifluoride144584-67-8 1-Bromo-3-fluoro-2-(trifluoromethyl)benzene261951-85-3 2-Bromo-4-fluoro-1-(trifluoromethyl)benzene351003-21-9 5-Bromo-2-fluorobenzotrifluoride393-37-3 4-Bromo-3-fluorobenzotrifluoride40161-54-4

Elsewhere

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