2-(3-Bromo-4-fluorophenyl)acetonitrile

C₈H₅BrFNCAS 501420-63-9214.04 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

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

501420-63-9

SMILES

C1=CC(=C(C=C1CC#N)Br)F

InChIKey

ORKCKZRBHXMWBO-UHFFFAOYSA-N

InChI

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

Weigh it out

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Names and synonyms

1 names

3-Bromo-4-fluorobenzeneacetonitrile

Work with 2-(3-Bromo-4-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

3,4-Difluorobenzeneacetonitrile658-99-168 % similar 3-Bromo-4-fluorobenzyl bromide78239-71-158 % similar 4-Fluoro-3-(trifluoromethyl)benzeneacetonitrile220239-65-657 % similar 3-Bromo-4-fluorobenzenemethanol77771-03-056 % similar (4-Chloro-3-fluoro-phenyl)-acetonitrile251570-03-356 % similar 3-Bromo-4-methoxyphenylacetonitrile772-59-855 % similar 3-Bromo-4-fluorobenzonitrile79630-23-251 % similar 3-Fluoro-4-methoxyphenylacetonitrile404-90-051 % similar

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

Same formula

2-Fluoro-4-cyanobenzyl bromide105942-09-4 2-(4-Bromo-2-fluorophenyl)acetonitrile114897-91-5 7-Bromo-4-fluoro-1H-indole292636-09-0 2-Cyano-5-fluorobenzyl bromide421552-12-7 3-Fluoro-4-bromoobenzyl cyanide499983-13-0

Elsewhere

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