chempirical

2,3,6-Trifluorobenzyl bromide

C7H4BrF3CAS 151412-02-1225.01 g/mol

Open in Covalent MOL file
FBrFF
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
151412-02-1
SMILES
C1=CC(=C(C(=C1F)CBr)F)F
InChIKey
JPBWEVKHPSNBCE-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrF3/c8-3-4-5(9)1-2-6(10)7(4)11/h1-2H,3H2

Weigh it out

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Work with 2,3,6-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-(Bromomethyl)-4-chloro-1,3-difluorobenzene261762-47-468 % similar 3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene53001-73-364 % similar 2,6-Difluorobenzyl bromide85118-00-960 % similar 2-(Bromomethyl)-3-chloro-1,4-difluorobenzene90292-67-457 % similar 2,3,6-Trifluorobenzyl alcohol114152-19-156 % similar 2,3,6-Trifluorobenzenemethanamine230295-09-756 % similar 2,3-Difluorobenzyl bromide113211-94-254 % similar 2,3,6-Trifluorobenzeneacetonitrile114152-21-550 % similar

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

Same formula

2,4,6-Trifluorobenzyl bromide151411-98-2 1-(Bromomethyl)-2,3,4-trifluorobenzene157911-55-2 2,4,5-Trifluorobenzyl bromide157911-56-3 3,4,5-Trifluorobenzyl bromide220141-72-0 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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