chempirical

2-Chloro-4-fluorobenzenamine

C6H5ClFNCAS 2106-02-7145.56 g/mol

Open in Covalent MOL file
H2NFCl
Aryl halidePrimary amine

Properties

Molecular formula
C6H5ClFN
Molar mass
145.56 g/mol
Exact mass
145.0095 Da
Boiling point
70–71 °C (at 0.25 Torr)
logP
2.06Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
2106-02-7
SMILES
Nc1ccc(F)cc1Cl
InChIKey
XRAKCYJTJGTSMM-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2

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

Names and synonyms

5 names
  • Benzenamine, 2-chloro-4-fluoro-
  • Aniline, 2-chloro-4-fluoro-
  • 2-Chloro-4-fluoroaniline
  • (2-Chloro-4-fluorophenyl)amine
  • 4-Fluoro-2-chloroaniline

Work with 2-Chloro-4-fluorobenzenamine

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-Chloro-5-fluorobenzenamine452-83-569 % similar 1,2-Dichloro-4-fluorobenzene1435-49-060 % similar 4-Fluoro-1,2-phenylenediamine367-31-760 % similar 3,3'-Dichlorobenzidine91-94-158 % similar 2,4-Difluoroaniline367-25-956 % similar 2,4-Dichloroaniline554-00-756 % similar 2-Chloro-P-phenylenediamine615-66-756 % similar 2-Chloro-4-methylaniline615-65-654 % similar

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

Same formula

3-Chloro-2-fluorobenzenamine2106-04-9 5-Chloro-2-fluoroaniline2106-05-0 2-Chloro-3-fluorobenzenamine21397-08-0 2-Chloro-3-fluoro-5-methylpyridine34552-15-3 2-Chloro-6-fluoroaniline363-51-9 3-Chloro-4-fluoroaniline367-21-5 4-Chloro-3-fluorobenzenamine367-22-6 2-Chloro-3-fluoro-6-methylpyridine374633-32-6

Elsewhere

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