chempirical

5-Chloro-2-fluorobenzonitrile

C7H3ClFNCAS 57381-34-7155.56 g/mol

Open in Covalent MOL file
NClF
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
57381-34-7
SMILES
N#Cc1cc(Cl)ccc1F
InChIKey
GJNJDELEHIGPKJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H

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

Names and synonyms

2 names
  • Benzonitrile, 5-chloro-2-fluoro-
  • 2-Fluoro-5-chlorobenzonitrile

Work with 5-Chloro-2-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

2,5-Dichlorobenzonitrile21663-61-660 % similar 2,5-Difluorobenzonitrile64248-64-260 % similar 5-Bromo-2-fluorobenzonitrile179897-89-356 % similar 2-Fluoro-5-iodobenzonitrile351003-36-656 % similar 5-Amino-2-fluorobenzonitrile53312-81-556 % similar 2-Amino-5-chlorobenzonitrile5922-60-156 % similar 2,4-Dichlorobenzonitrile6574-98-755 % similar 4-Chloro-1,2-difluorobenzene696-02-654 % 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 4-Chloro-2-fluorobenzonitrile57381-51-8 2-Chloro-5-fluorobenzonitrile57381-56-3 2-Chloro-4-fluorobenzonitrile60702-69-4 2-Chloro-6-fluorobenzonitrile668-45-1 2-Chloro-3-fluorobenzonitrile874781-08-5 3-Chloro-2-fluorobenzonitrile94087-40-8

Elsewhere

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