| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2009 | 12 | Yes |
Popular Name: 5-bromo-2-(trifluoromethyl)phenol 5-bromo-2-(trifluoromethyl)phenol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1121585-15-6 , 402-05-1 , [402-05-1]
| 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) | 3.56 | 3.35 | -3.6 | 1 | 1 | 0 | 20 | 241.006 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.56 | 4.11 | -35.9 | 0 | 1 | -1 | 23 | 239.998 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 89 - 91 | Enamine Building Blocks |
| MP | 89...91 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.