chempirical

2-Chloro-3-fluorobenzonitrile

C7H3ClFNCAS 874781-08-5155.56 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
874781-08-5
SMILES
N#Cc1cccc(F)c1Cl
InChIKey
ROXFZJBRIXTCPI-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClFN/c8-7-5(4-10)2-1-3-6(7)9/h1-3H

Weigh it out

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

Names and synonyms

2 names
  • Benzonitrile, 2-chloro-3-fluoro-
  • 3-Fluoro-2-chlorobenzonitrile

Work with 2-Chloro-3-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-Fluorobenzonitrile394-47-865 % similar 2,3-Difluorobenzonitrile21524-39-062 % similar 3-Fluoro-1,2-benzenedicarbonitrile65610-13-162 % similar 2,3-Dichlorobenzonitrile6574-97-659 % similar 2-Amino-3-fluorobenzonitrile115661-37-558 % similar 2,6-Difluorobenzonitrile1897-52-554 % similar 3-Fluoro-2-nitrobenzonitrile1000339-52-549 % similar 2-Cyano-6-fluorobenzoic acid887266-96-849 % 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-6-fluorobenzonitrile668-45-1 3-Chloro-2-fluorobenzonitrile94087-40-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook