| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 13 | Yes |
Popular Name: 4-Fluoro-2-(1h-pyrazol-3-yl)phenol 4-Fluoro-2-(1h-pyrazol-3-yl)phenol
Find On: PubMed — Wikipedia — Google
CAS Number: 288401-64-9
| 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) | 1.86 | 2.02 | -7.85 | 2 | 3 | 0 | 49 | 178.166 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.90 | 3.04 | -50.58 | 0 | 3 | -1 | 48 | 177.158 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 2.65 | -36.04 | 1 | 3 | -1 | 52 | 177.158 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 2.79 | -47.02 | 1 | 3 | -1 | 52 | 177.158 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 1.89 | -5.69 | 2 | 3 | 0 | 49 | 178.166 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 132.9 - 134.1 | Acros Organics |
| Purity | 97 | Fluorochem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with wate | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.