| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2011 | 14 | No |
Popular Name: 2-Methyl-6-nitrobenzotrifluoride 2-Methyl-6-nitrobenzotrifluoride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 112641-21-1 , N/A , [112641-21-1]
| 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 | 6.7 | -10.41 | 0 | 3 | 0 | 46 | 205.135 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0543541A1 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
