| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 14 | No |
Popular Name: 2-Methyl-3-nitrobenzotrifluoride 2-Methyl-3-nitrobenzotrifluoride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 6656-49-1 , [6656-49-1]
2-methyl-1-nitro-3-(trifluoromethyl)benzene
2-Methyl-3-nitrobenzotrifluoride 97%
2-Methyl-3-nitrobenzotrifluoride, 97%
2-Nitro-6-(trifluoromethyl)toluene
2-Nitro-6-(trifluoromethyl)toluene, 2-Methyl-3-(trifluoromethyl)nitrobenzene
2-Nitro-6-trifluoromethyltoluene
| 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) | 3.14 | 3.89 | -6.25 | 0 | 3 | 0 | 45 | 205.135 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 86?/10mm | Alfa-Aesar |
| Boiling_Point | 86°/10mm | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Matrix Scientific |
| Warnings | TOXIC | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.