| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2008 | 12 | No |
Popular Name: 2-Nitrobenzene-1,3,5-triol 2-Nitrobenzene-1,3,5-triol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 16600-92-3 , [16600-92-3]
| 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) | 0.84 | -2.34 | -47.62 | 2 | 6 | -1 | 109 | 170.1 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.84 | -1.56 | -105.79 | 1 | 6 | -2 | 112 | 169.092 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.84 | -1.74 | -115.24 | 1 | 6 | -2 | 112 | 169.092 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.84 | -2.16 | -37.18 | 2 | 6 | -1 | 109 | 170.1 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.84 | -2.94 | -9.59 | 3 | 6 | 0 | 107 | 171.108 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 187-191? | Alfa-Aesar |
| Melting_Point | 187-191° | Alfa-Aesar |
| Purity | 98% | Fluorochem |
