4-Chloro-8-fluoroquinoline

C₉H₅ClFNCAS 63010-72-0181.59 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₅ClFN
Molar mass: 181.59 g/mol
Exact mass: 181.0095 Da
logP: 3.03Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

63010-72-0

SMILES

C1=CC2=C(C=CN=C2C(=C1)F)Cl

InChIKey

NUIMKHDPMIPYFI-UHFFFAOYSA-N

InChI

InChI=1S/C9H5ClFN/c10-7-4-5-12-9-6(7)2-1-3-8(9)11/h1-5H

Weigh it out

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

Work with 4-Chloro-8-fluoroquinoline

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

4,8-Dichloroquinoline21617-12-966 % similar 4,7-Dichloro-1,10-phenanthroline5394-23-061 % similar 4-Chloro-8-methylquinoline18436-73-258 % similar 4-Chloro-8-(trifluoromethyl)quinoline23779-97-757 % similar 8-Fluoroquinoline394-68-350 % similar 4-Chloroquinoline611-35-850 % similar 5-Chloro-8-hydroxyquinoline130-16-547 % similar 5-Chloro-1,10-phenanthroline4199-89-744 % similar

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

Same formula

4-Chloro-6-fluoroquinoline391-77-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook