| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 30th, 2009 | 10 | Yes |
Popular Name: 4-hydroxy-3-methylbenzonitrile 4-hydroxy-3-methylbenzonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 124811-71-8 , 15777-70-5
4-Hydroxy-3-(trifluoromethyl)benzonitrile
4-Hydroxy-3-(trifluoromethyl)benzonitrile, 98+%
| 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) | 2.06 | 2.79 | -5.88 | 1 | 2 | 0 | 44 | 133.15 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 3.56 | -34.85 | 0 | 2 | -1 | 47 | 132.142 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 171-175? | Alfa-Aesar |
| Melting_Point | 171-175° | Alfa-Aesar |
| MP | 89 - 91 | Enamine Building Blocks |
| MP | 89...91 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Fluorochem |
