chempirical

6-Chloroquinoxaline

C8H5ClN2CAS 5448-43-1164.59 g/mol

Open in Covalent MOL file
NNCl
Aryl halide

Properties

Molecular formula
C8H5ClN2
Molar mass
164.59 g/mol
Exact mass
164.0141 Da
logP
2.28Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
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
5448-43-1
SMILES
C1=CC2=NC=CN=C2C=C1Cl
InChIKey
HOOMNCITVCXDTR-UHFFFAOYSA-N
InChI
InChI=1S/C8H5ClN2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-5H

Weigh it out

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

Work with 6-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

6-Chloroquinoline612-57-757 % similar 7-Chloroquinoline612-61-357 % similar 2,6-Dichloroquinoxaline18671-97-155 % similar 4,6-Dichloroquinoline4203-18-355 % similar 4,7-Dichloroquinoline86-98-655 % similar 5-Chlorobenzo-2,1,3-thiadiazole2207-32-152 % similar 4-Amino-7-chloroquinoline1198-40-952 % similar 7-Chloro-4-hydrazinylquinoline23834-14-250 % similar

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

Same formula

2-Chloroquinoxaline1448-87-9 4-Chloro-quinazoline5190-68-1 2-Chloroquinazoline6141-13-5

Elsewhere

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