| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 15 | Yes |
Popular Name: 2-METHOXY-2-PHENYL-3,3,3-TRIFLUOROPROPIONITRILE 2-METHOXY-2-PHENYL-3,3,3-TRIFLUO…
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CAS Number: 80866-87-1
(+/-)-2-Methoxy-2-(trifluoromethyl)phenylacetonitrile 98%
(+/-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetonitrile
(+/-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetonitrile, 98%
(+/-)-alpha-Methoxy-alpha-trifluoromethylphenylacetonitrile
(+\-)-2-Methoxy-2-phenyl-3,3,3-trifluoropropionitrile
(^+)-^a-Methoxy-^a-(trifluoromethyl)phenylacetonitrile, 98%
(±)-Ä-Methoxy-Ä-trifluoromethylphenylacetonitrile
2-Methoxy-2-phenyl-3,3,3-trifluoropropanenitrile
3,3,3-Trifluoro-2-methoxy-2-phenylpropionitrile
| 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) | 2.66 | 4.21 | -4.05 | 0 | 2 | 0 | 33 | 215.174 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 76-82?/12mm | Alfa-Aesar |
| Boiling_Point | 76-82°/12mm | Alfa-Aesar |
| BP | 82-84°/12mm | Matrix Scientific |
| Purity | 98% | Matrix Scientific |
| Warnings | IRRITANT-HARMFUL | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.