In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2004 | 14 | Yes |
Popular Name: 2-Chloro-5-(trifluoromethyl)phenylacetonitrile 2-Chloro-5-(trifluoromethyl)phen…
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CAS Numbers: 22902-88-1 , [22902-88-1]
2-Chloro-5-(trifluoromethyl)benzyl cyanide
2-Chloro-5-(trifluoromethyl)phenylacetonitrile, 97%
2-Chloro-5-trifluoromethylbenzylcyanide
4-Chloro-3-(cyanomethyl)benzotrifluoride
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) | 3.40 | 4.77 | -7.43 | 0 | 1 | 0 | 23 | 219.593 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Boiling_Point | 140-142?/12mm | Alfa-Aesar |
Boiling_Point | 140-142°/12mm | Alfa-Aesar |
Melting_Point | 30-34? | Alfa-Aesar |
Melting_Point | 30-34° | Alfa-Aesar |
Warnings | TOXIC | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.