4-Chloro-2-fluorobenzeneacetonitrile

C₈H₅ClFNCAS 75279-53-7169.58 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₈H₅ClFN
Molar mass: 169.58 g/mol
Exact mass: 169.0095 Da
logP: 2.55Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

75279-53-7

SMILES

N#CCc1ccc(Cl)cc1F

InChIKey

RTQOANCZEAIDEZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H5ClFN/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3H2

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Names and synonyms

4 names

Benzeneacetonitrile, 4-chloro-2-fluoro-
(4-Chloro-2-fluorophenyl)acetonitrile
2-(4-Chloro-2-fluorophenyl)acetonitrile
2-(2-Fluoro-4-chlorophenyl)acetonitrile

Work with 4-Chloro-2-fluorobenzeneacetonitrile

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-Dichlorobenzeneacetonitrile6306-60-164 % similar 2,4-Difluorophenylacetonitrile656-35-964 % similar 2-(4-Bromo-2-fluorophenyl)acetonitrile114897-91-560 % similar 2-Fluoro-4-(trifluoromethyl)benzeneacetonitrile239087-11-757 % similar 2-Fluorobenzeneacetonitrile326-62-556 % similar 4-Chloro-2-fluorobenzenemethanol56456-49-656 % similar 4-Chloro-2-fluorobenzyl bromide71916-82-056 % similar 4-Chloro-2-fluorobenzonitrile57381-51-851 % similar

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

Same formula

6-Chloro-5-fluoro-1H-indole122509-72-2 2-Chloro-6-fluorobenzeneacetonitrile75279-55-9

Elsewhere

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