chempirical

4-Chloroquinoline

C9H6ClNCAS 611-35-8163.60 g/mol

Open in Covalent MOL file
ClN
Aryl halide

Properties

Molecular formula
C9H6ClN
Molar mass
163.60 g/mol
Exact mass
163.0189 Da
Melting point
34.5 °C
Boiling point
262 °C
logP
2.89Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
611-35-8
SMILES
Clc1ccnc2ccccc12
InChIKey
KNDOFJFSHZCKGT-UHFFFAOYSA-N
InChI
InChI=1S/C9H6ClN/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H

Weigh it out

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

Names and synonyms

2 names
  • Quinoline, 4-chloro-
  • NSC 96902

Work with 4-Chloroquinoline

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,8-Dichloroquinoline21617-12-957 % similar 4,7-Dichloroquinoline86-98-657 % similar 4-Chloro-6-methylquinoline18436-71-053 % similar 4,7-Dichloro-1,10-phenanthroline5394-23-052 % similar 4-Chloro-7-(trifluoromethyl)quinoline346-55-449 % similar 4-Quinolinecarboxaldehyde4363-93-347 % similar Quinoxaline91-19-046 % similar 4-Chloro-8-(trifluoromethyl)quinoline23779-97-746 % similar

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

Same formula

3-Chloroisoquinoline19493-45-9 8-Chloroquinoline611-33-6 6-Chloroquinoline612-57-7 7-Chloroquinoline612-61-3 2-Chloroquinoline612-62-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook