chempirical

2-Chloro-5-fluorobenzonitrile

C7H3ClFNCAS 57381-56-3155.56 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
57381-56-3
SMILES
N#Cc1cc(F)ccc1Cl
InChIKey
HBTXAKDVIXNVHZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClFN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H

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

Names and synonyms

1 names
  • Benzonitrile, 2-chloro-5-fluoro-

Work with 2-Chloro-5-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 2,5-Dichlorobenzonitrile21663-61-660 % similar 2,5-Difluorobenzonitrile64248-64-260 % similar 2-Chlorobenzonitrile873-32-557 % similar 2-Chloro-5-iodobenzonitrile289039-29-856 % similar 2-Bromo-5-fluorobenzonitrile57381-39-256 % similar 5-Bromo-2-chlorobenzonitrile57381-44-956 % similar 2-Chloro-5-(trifluoromethyl)benzonitrile328-87-056 % 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-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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