| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 11 | No |
Popular Name: 1,2-Dimethyl-3-nitrobenzene 1,2-Dimethyl-3-nitrobenzene
2-Nitro-6-(Trifluoromethyl)Toluene [6656-49-1]; (2-Methyl-3-nitrobenzotrifluoride)
3-Nitro-o-xylene;2,3-Dimethylnitrobenzene
EINECS 246-697-7; LS-185715; Nitroxylene; Nitroxylenes, (m-, o-, p-); Xylene, ar-nitro-
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.70 | 6.39 | -6.81 | 0 | 3 | 0 | 46 | 151.165 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 13-15? | Alfa-Aesar |
| Melting_Point | 13-15° | Alfa-Aesar |
| BP | 132 / 20 | TCI |
| Boiling_Point | 244-246? | Alfa-Aesar |
| Boiling_Point | 244-246° | Alfa-Aesar |
| mp | 65 - 68 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 7 - 9 | Enamine Building Blocks |
| MP | 7...9 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | APIChem |
| PUBCHEM_PATENT_ID | US5508251; US5661106; US5840722; US6030975 | IBM Patent Data |
