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: | 002338-12-7 | |
|---|---|---|
| Name: | N-hydroxy-2H-benzotriazol-5-amine oxide N-(2H-benzotriazol-5-yl)-N-oxidohydroxylamine 5-nitro-2H-benzotriazole | |
| Description: | InChI code and name were downloaded from http://cactus.nci.nih.gov | |
| Labels: | ||
| CAS: | 2338-12-7 | |
| InChi Code: | InChI=1S/C6H4N4O2/c11-10(12)4-1-2-5-6(3-4)8-9-7-5/h1-3H,(H,7,8,9) |
Properties
MP: Melting point [°C]
| Value | Source or prediction |
|---|---|
| 217 |
experimental value |
| 194.57 |
Eq4: Model for melting point (Training set) |
logKow: Octanol/water partition coefficient as logKow
| Value | Source or prediction |
|---|---|
| 1.95 |
experimental value |
| 1.24 |
Eq2: Model for octanol/water partition coefficient (Training set) |