| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 15 | Yes |
Popular Name: 3-oxo-3-[3-(trifluoromethyl)phenyl]propanenitrile 3-oxo-3-[3-(trifluoromethyl)phen…
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CAS Numbers: 27328-86-5 , [27328-86-5]
2-Cyano-3'-(trifluoromethyl)acetophenone
3-(Frifluoromethyl)benzoylacetonitrile
3-(trifluoromethyl)benzoyl acetonitrile
3-(Trifluoromethyl)benzoylacetonitrile
3-(Trifluoromethyl)benzoylacetonitrile 97%
3-(Trifluoromethyl)benzoylacetonitrile, 97%
3-Oxo-3-(3-(trifluoromethyl)phenyl)propanenitrile
| 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) | 1.79 | 6.42 | -18.37 | 0 | 2 | 0 | 41 | 213.158 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 58-63? | Alfa-Aesar |
| Melting_Point | 58-63° | Alfa-Aesar |
| melting_point | 64 - 66 | KeyOrganics |
| MP | 64-66° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.