2-(4-Bromo-2-fluorophenyl)acetonitrile

C₈H₅BrFNCAS 114897-91-5214.04 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₈H₅BrFN
Molar mass: 214.04 g/mol
Exact mass: 212.9589 Da
logP: 2.65Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

114897-91-5

SMILES

C1=CC(=C(C=C1Br)F)CC#N

InChIKey

QLASQEZPJFNZQC-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

4-Bromo-2-fluorobenzyl cyanide

Work with 2-(4-Bromo-2-fluorophenyl)acetonitrile

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

2,4-Difluorophenylacetonitrile656-35-964 % similar 4-Chloro-2-fluorobenzeneacetonitrile75279-53-760 % similar 4-Bromo-2-fluorobenzyl bromide76283-09-558 % similar 2-Fluoro-4-(trifluoromethyl)benzeneacetonitrile239087-11-757 % similar 2-Fluorobenzeneacetonitrile326-62-556 % similar 4-Bromo-2-fluorobenzenemethanamine112734-22-256 % similar 4-Bromo-2-fluorobenzonitrile105942-08-351 % similar 4-Bromo-2-fluorobenzylamine hydrochloride147181-08-651 % similar

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

Same formula

2-Fluoro-4-cyanobenzyl bromide105942-09-4

Elsewhere

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