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) |