Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 209 | |
|---|---|---|
| Name: | 1,2,3-tribromo-4-(2,4,6-tribromophenoxy)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,2',3,4,4',6'-hexaBDE | |
| Labels: | ||
| CAS: | 243982-83-4 | |
| InChi Code: | InChI=1S/C12H4Br6O/c13-5-3-7(15)12(8(16)4-5)19-9-2-1-6(14)10(17)11(9)18/h1-4H |
Properties
M10.MP: Melting Point [°C]
| Value | Source or prediction |
|---|---|
| 180.5 |
experimental value |
| 149.4819 |
Tab2.Model_10: BFR melting point (Training set) |