| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2010 | 15 | Yes |
Popular Name: 4-Methoxy-3-(trifluoromethyl)phenylacetonitrile 4-Methoxy-3-(trifluoromethyl)phe…
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CAS Number: 1000555-32-7
4-Methoxy-3-(trifluoromethyl)phenylacetonitrile, 97%
4-Methoxy-3-(trifluoromethyl)phenylacetonitrile, JRD
| 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) | 2.78 | 6.05 | -11.98 | 0 | 2 | 0 | 33 | 215.174 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 50-53? | Alfa-Aesar |
| Melting_Point | 50-53° | Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.