chempirical

8-Chloroquinoline

C9H6ClNCAS 611-33-6163.60 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
−20 °C
Boiling point
288.5 °C
logP
2.89Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
611-33-6
SMILES
Clc1cccc2cccnc12
InChIKey
RUSMDMDNFUYZTM-UHFFFAOYSA-N
InChI
InChI=1S/C9H6ClN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H

Weigh it out

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

Names and synonyms

2 names
  • Quinoline, 8-chloro-
  • NSC 56815

Work with 8-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

5-Chloro-1,10-phenanthroline4199-89-762 % similar 1,10-Phenanthroline66-71-761 % similar 8-Bromoquinoline16567-18-356 % similar 2,3-Dichloropyridine2402-77-954 % similar 1,10-Phenanthroline hydrochloride3829-86-554 % similar 4,5-Phenanthroline monohydrate5144-89-854 % similar 8-Iodo quinoline1006-47-954 % similar 8-Hydroxyquinoline148-24-354 % similar

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

Same formula

3-Chloroisoquinoline19493-45-9 4-Chloroquinoline611-35-8 6-Chloroquinoline612-57-7 7-Chloroquinoline612-61-3 2-Chloroquinoline612-62-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook