| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 12 | Yes |
Popular Name: 3-Bromo-5-(trifluoromethyl)phenol 3-Bromo-5-(trifluoromethyl)phenol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1025718-84-6 , [1025718-84-6]
| 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) | 3.09 | 3.25 | -3.34 | 1 | 1 | 0 | 20 | 241.006 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.09 | 4.02 | -34.38 | 0 | 1 | -1 | 23 | 239.998 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Matrix Scientific |
| Purity | 95.0 | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.