chempirical

2-Chloroquinoxaline

C8H5ClN2CAS 1448-87-9164.59 g/mol

Open in Covalent MOL file
ClNN
Aryl halide

Properties

Molecular formula
C8H5ClN2
Molar mass
164.59 g/mol
Exact mass
164.0141 Da
Melting point
46–47 °C
Boiling point
80 °C (at 0.5 Torr)
logP
2.28Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
1448-87-9
SMILES
Clc1cnc2ccccc2n1
InChIKey
BYHVGQHIAFURIL-UHFFFAOYSA-N
InChI
InChI=1S/C8H5ClN2/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H

Weigh it out

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

Names and synonyms

2 names
  • Quinoxaline, 2-chloro-
  • NSC 43553

Work with 2-Chloroquinoxaline

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

2,6-Dichloroquinoxaline18671-97-159 % similar 6-Bromo-2-chloroquinoxaline55687-02-055 % similar 2-Chloroquinoline612-62-450 % similar 2-Methylquinoxaline7251-61-850 % similar 2,3-Dichloroquinoxaline2213-63-048 % similar Phenazine92-82-045 % similar 2-Chloro-4-methylquinoline634-47-942 % similar 2,6-Dichloropyridine2402-78-042 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook