chempirical

2-Chloro-6-fluorobenzeneacetonitrile

C8H5ClFNCAS 75279-55-9169.58 g/mol

Open in Covalent MOL file
NFCl
Aryl halideNitrile

Properties

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

Identifiers

CAS number
75279-55-9
SMILES
N#CCc1c(F)cccc1Cl
InChIKey
ZGSAFMIRVLOISC-UHFFFAOYSA-N
InChI
InChI=1S/C8H5ClFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2

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

Names and synonyms

4 names
  • Benzeneacetonitrile, 2-chloro-6-fluoro-
  • 2-Chloro-6-fluorophenylacetonitrile
  • 2-Chloro-6-fluorobenzyl cyanide
  • 2-(2-Chloro-6-fluorophenyl)acetonitrile

Work with 2-Chloro-6-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

2,6-Difluorobenzeneacetonitrile654-01-375 % similar 2,6-Dichlorobenzeneacetonitrile3215-64-371 % similar 3-Chloro-2,6-difluorobenzeneacetonitrile261762-55-465 % similar 4-[(2-Chloro-6-fluorophenyl)methoxy]benzeneacetonitrile175135-35-063 % similar 2-Chloro-6-fluorobenzyl chloride55117-15-256 % similar 2,3,6-Trifluorobenzeneacetonitrile114152-21-555 % similar 2-Chloro-6-fluorobenzenemethanamine15205-15-955 % similar 2-Chloro-6-fluorobenzenemethanol56456-50-955 % similar

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

Same formula

6-Chloro-5-fluoro-1H-indole122509-72-2 4-Chloro-2-fluorobenzeneacetonitrile75279-53-7

Elsewhere

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