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: | 029975-16-4 | |
|---|---|---|
| Name: | 8-Chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine | |
| Description: | InChI code and name were downloaded from http://cactus.nci.nih.gov | |
| Labels: | ||
| CAS: | 29975-16-4 | |
| InChi Code: | InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2 |
Properties
MP: Melting point [°C]
| Value | Source or prediction |
|---|---|
| 228.5 |
experimental value |
| 193.56 |
Eq4: Model for melting point (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5020572 | US EPA CompTox Dashboard |