| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 17 | Yes |
Popular Name: 2,4-Bis(trifluoromethyl)phenylacetonitrile 2,4-Bis(trifluoromethyl)phenylac…
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CAS Numbers: 201789-28-8 , [201789-28-8]
2,4-Bis(trifluoromethyl)phenylacetonitrile 98%
Benzeneacetonitrile,2,4-bis(trifluoromethyl)-
| 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) | 3.62 | 6.71 | -9.58 | 0 | 1 | 0 | 23 | 253.145 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.