chempirical

3-Chloro-5-fluorobenzenamine

C6H5ClFNCAS 4863-91-6145.56 g/mol

Open in Covalent MOL file
NH2FCl
Aryl halidePrimary amine

Properties

Molecular formula
C6H5ClFN
Molar mass
145.56 g/mol
Exact mass
145.0095 Da
Boiling point
98 °C (at 19 Torr)
logP
2.06Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
4863-91-6
SMILES
Nc1cc(F)cc(Cl)c1
InChIKey
LPIFAHAICWJMRR-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClFN/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2

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

Names and synonyms

3 names
  • Benzenamine, 3-chloro-5-fluoro-
  • Aniline, 3-chloro-5-fluoro-
  • 3-Chloro-5-fluoroaniline

Work with 3-Chloro-5-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

1,3-Dichloro-5-fluorobenzene1435-46-764 % similar 3,5-Diaminochlorobenzene33786-89-964 % similar 3,5-Difluoroaniline372-39-464 % similar 3,5-Dichloroaniline626-43-764 % similar 3-Chloro-5-fluorophenol202982-70-550 % similar 3-Chloro-5-methylbenzenamine29027-20-150 % similar 3-Fluoroaniline372-19-050 % similar 3-Chloro-5-(trifluoromethyl)benzenamine69411-05-850 % similar

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

Same formula

2-Chloro-4-fluorobenzenamine2106-02-7 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

Elsewhere

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