chempirical

2-Chloro-4-fluorobenzonitrile

C7H3ClFNCAS 60702-69-4155.56 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
logP
2.35Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
60702-69-4
SMILES
N#Cc1ccc(F)cc1Cl
InChIKey
PGKPNNMOFHNZJX-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClFN/c8-7-3-6(9)2-1-5(7)4-10/h1-3H

Weigh it out

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

Names and synonyms

2 names
  • Benzonitrile, 2-chloro-4-fluoro-
  • 4-Fluoro-2-chlorobenzonitrile

Work with 2-Chloro-4-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

4-Fluoro-1,2-benzenedicarbonitrile65610-14-264 % similar 2,4-Difluorobenzonitrile3939-09-160 % similar 2,4-Dichlorobenzonitrile6574-98-760 % similar 2-Chlorobenzonitrile873-32-557 % similar 4-Fluoro-2-methylbenzonitrile147754-12-956 % similar 4-Bromo-2-chlorobenzonitrile154607-01-956 % similar 4-Amino-2-chlorobenzonitrile20925-27-356 % similar 2-Bromo-4-fluorobenzonitrile36282-26-556 % 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-6-fluorobenzonitrile668-45-1 2-Chloro-3-fluorobenzonitrile874781-08-5 3-Chloro-2-fluorobenzonitrile94087-40-8

Elsewhere

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