chempirical

3-Bromo-4-fluorobenzyl bromide

C7H5Br2FCAS 78239-71-1267.92 g/mol

Open in Covalent MOL file
BrBrF
Alkyl halideAryl halide

Properties

Molecular formula
C7H5Br2F
Molar mass
267.92 g/mol
Exact mass
265.8742 Da
logP
3.48Crippen 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
78239-71-1
SMILES
C1=CC(=C(C=C1CBr)Br)F
InChIKey
ZRWSODQPUJMFRV-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Br2F/c8-4-5-1-2-7(10)6(9)3-5/h1-3H,4H2

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Work with 3-Bromo-4-fluorobenzyl 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

3,4-Difluorobenzyl bromide85118-01-067 % similar 3-Bromo-4-fluorobenzenemethanol77771-03-063 % similar 3-Chloro-4-fluorobenzyl bromide192702-01-558 % similar 2-(3-Bromo-4-fluorophenyl)acetonitrile501420-63-958 % similar 4-(Bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene184970-26-155 % similar 3-Bromo-4-fluorophenylacetic acid194019-11-954 % similar 3-Fluoro-4-methylbenzyl bromide145075-44-153 % similar 4-(Bromomethyl)-1-chloro-2-fluorobenzene206362-80-353 % similar

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

Same formula

1-Bromo-2-(bromomethyl)-4-fluorobenzene112399-50-5 2-Bromo-1-(bromomethyl)-3-fluorobenzene1184918-22-6 1-Bromo-4-(bromomethyl)-2-fluorobenzene127425-73-4 1-Bromo-3-(bromomethyl)-2-fluorobenzene149947-16-0 1-Bromo-3-(bromomethyl)-5-fluorobenzene216755-57-6 2-Bromo-1-(bromomethyl)-4-fluorobenzene61150-57-0 4-Bromo-2-fluorobenzyl bromide76283-09-5

Elsewhere

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