Bhhatarai, B.; Gramatica, P. Modelling physico-chemical properties of (benzo)triazoles, and screening for environmental partitioning. Water Res. 2011, 45, 3, 1463–1471.

Compound

	ID:	066535-86-2
	Name:	2-(4-chlorophenyl)-[1,2,4]triazolo[5,1-a]isoquinoline
	Description:	InChI code and name were downloaded from http://cactus.nci.nih.gov
	Labels:
	CAS:	66535-86-2
	InChi Code:	InChI=1S/C16H10ClN3/c17-13-7-5-12(6-8-13)15-18-16-14-4-2-1-3-11(14)9-10-20(16)19-15/h1-10H

Properties

MP: Melting point [°C]

Value	Source or prediction
239	experimental value
250.97	Eq4: Model for melting point (Training set)