2-Fluoro-4-cyanobenzyl bromide

C₈H₅BrFNCAS 105942-09-4214.04 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitrile

Properties

Molecular formula: C₈H₅BrFN
Molar mass: 214.04 g/mol
Exact mass: 212.9589 Da
logP: 2.59Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

105942-09-4

SMILES

C1=CC(=C(C=C1C#N)F)CBr

InChIKey

ZESZAIOGACKOMB-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrFN/c9-4-7-2-1-6(5-11)3-8(7)10/h1-3H,4H2

Weigh it out

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

Names and synonyms

1 names

4-(Bromomethyl)-3-fluorobenzonitrile

Work with 2-Fluoro-4-cyanobenzyl 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-Difluorobenzonitrile64248-62-058 % similar 4-Bromo-3-fluorobenzonitrile133059-44-656 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-655 % similar 2,4-Difluorobenzyl bromide23915-07-355 % similar 4-Bromo-2-fluorobenzyl bromide76283-09-553 % similar 4-Chloro-3-fluorobenzonitrile110888-15-851 % similar 4-Cyano-2-fluorophenol405-04-951 % similar 4-Amino-3-fluorobenzonitrile63069-50-151 % similar

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

Same formula

2-(4-Bromo-2-fluorophenyl)acetonitrile114897-91-5

Elsewhere

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