3,4-Difluorobenzyl bromide

C₇H₅BrF₂CAS 85118-01-0207.02 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₅BrF₂
Molar mass: 207.02 g/mol
Exact mass: 205.9543 Da
logP: 2.86Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

85118-01-0

SMILES

Fc1ccc(CBr)cc1F

InChIKey

JJIFTOPVKWDHJI-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrF2/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2

Weigh it out

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

Names and synonyms

4 names

Benzene, 4-(bromomethyl)-1,2-difluoro-
4-(Bromomethyl)-1,2-difluorobenzene
α-Bromo-3,4-difluorotoluene
1-Bromomethyl-3,4-difluorobenzene

Work with 3,4-Difluorobenzyl 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

1-Bromo-4-(bromomethyl)-2-fluorobenzene127425-73-467 % similar 4-(Bromomethyl)-1-chloro-2-fluorobenzene206362-80-364 % similar 4-(Bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene184970-26-160 % similar 3,4,5-Trifluorobenzyl bromide220141-72-058 % similar 3,4-Difluorobenzylamine72235-53-156 % similar 3,4-Difluorobenzenemethanol85118-05-456 % similar 3-Fluoro-4-nitrobenzyl bromide131858-37-253 % similar 3-Fluorobenzyl bromide456-41-750 % similar

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

Same formula

2,3-Difluorobenzyl bromide113211-94-2 3,5-Difluorobenzyl bromide141776-91-2 2,4-Difluorobenzyl bromide23915-07-3 2,5-Difluorobenzyl bromide85117-99-3 2,6-Difluorobenzyl bromide85118-00-9 1-Bromo-4,5-difluoro-2-methylbenzene875664-38-3

Elsewhere

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