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: | 206 | |
|---|---|---|
| Name: | 1,3-dibromo-2-(3,4-dibromophenoxy)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,3',4',6-tetraBDE | |
| Labels: | ||
| CAS: | 189084-62-6 | |
| InChi Code: | InChI=1S/C12H6Br4O/c13-8-5-4-7(6-11(8)16)17-12-9(14)2-1-3-10(12)15/h1-6H |
Properties
M10.MP: Melting Point [°C]
| Value | Source or prediction |
|---|---|
| 134.5 |
experimental value |
| 115.0244 |
Tab2.Model_10: BFR melting point (Training set) |