chempirical

2-Chloro-6-fluorobenzonitrile

C7H3ClFNCAS 668-45-1155.56 g/mol

Open in Covalent MOL file
NFCl
Aryl halideNitrile

Properties

Molecular formula
C7H3ClFN
Molar mass
155.56 g/mol
Exact mass
154.9938 Da
Melting point
56–59 °C
logP
2.35Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
668-45-1
SMILES
N#Cc1c(F)cccc1Cl
InChIKey
XPTAYRHLHAFUOS-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClFN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H

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

Names and synonyms

3 names
  • Benzonitrile, 2-chloro-6-fluoro-
  • 2-Chloro-6-fluorocyanobenzene
  • 2-Fluoro-6-chlorobenzonitrile

Work with 2-Chloro-6-fluorobenzonitrile

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-Difluorobenzonitrile1897-52-572 % similar 2,6-Dichlorobenzonitrile1194-65-668 % similar 3-Fluoro-1,2-benzenedicarbonitrile65610-13-162 % similar 2-Cyano-3-fluorophenol140675-43-058 % similar 2-Amino-6-fluorobenzonitrile77326-36-458 % similar 1-Chloro-2-fluorobenzene348-51-658 % similar 2-Chloro-6-methylbenzonitrile6575-09-355 % similar 2-Amino-6-chlorobenzonitrile6575-11-755 % similar

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

Same formula

4-Chloro-3-fluorobenzonitrile110888-15-8 3-Chloro-4-fluorobenzonitrile117482-84-5 5-Chloro-2-fluorobenzonitrile57381-34-7 4-Chloro-2-fluorobenzonitrile57381-51-8 2-Chloro-5-fluorobenzonitrile57381-56-3 2-Chloro-4-fluorobenzonitrile60702-69-4 2-Chloro-3-fluorobenzonitrile874781-08-5 3-Chloro-2-fluorobenzonitrile94087-40-8

Elsewhere

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