chempirical

4,8-Dichloroquinoline

C9H5Cl2NCAS 21617-12-9198.05 g/mol

Open in Covalent MOL file
ClNCl
Aryl halide

Properties

Molecular formula
C9H5Cl2N
Molar mass
198.05 g/mol
Exact mass
196.9799 Da
Melting point
155–156 °C
logP
3.54Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
21617-12-9
SMILES
Clc1ccnc2c(Cl)cccc12
InChIKey
SDPCOMBBZFETLG-UHFFFAOYSA-N
InChI
InChI=1S/C9H5Cl2N/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.

Names and synonyms

1 names
  • Quinoline, 4,8-dichloro-

Work with 4,8-Dichloroquinoline

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

4,7-Dichloro-1,10-phenanthroline5394-23-071 % similar 4-Chloro-8-(trifluoromethyl)quinoline23779-97-759 % similar 4-Chloroquinoline611-35-857 % similar 5-Chloro-1,10-phenanthroline4199-89-755 % similar 8-Chloroquinoline611-33-654 % similar 5-Chloro-8-hydroxyquinoline130-16-553 % similar Chloroxine773-76-252 % similar Clioquinol130-26-746 % similar

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

Same formula

2,6-Dichloroquinoline1810-72-6 1,3-Dichloroisoquinoline7742-73-6 4,7-Dichloroquinoline86-98-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook