In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2004 | 14 | Yes |
Popular Name: 2-(4-Chloro-2-(trifluoromethyl)phenyl)acetonitrile 2-(4-Chloro-2-(trifluoromethyl)p…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 85386-80-7 , [85386-80-7]
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 | 6.81 | -8.51 | 0 | 1 | 0 | 24 | 219.593 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Purity | 95% | Fluorochem |
Purity | 95+% | Matrix Scientific |
Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.