| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2008 | 11 | No |
Popular Name: 4-Bromo-3-nitrophenol 4-Bromo-3-nitrophenol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 78137-76-5 , [78137-76-5]
| 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) | 2.15 | 2.74 | -9.58 | 1 | 4 | 0 | 66 | 218.006 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.15 | 3.53 | -33.98 | 0 | 4 | -1 | 69 | 216.998 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 144-145° | Oakwood Chemical |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | WO2000048996A2 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.