| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 3rd, 2006 | 15 | No |
Popular Name: 2-bromo-1-(4-methoxy-3-nitrophenyl)-1-ethanone 2-bromo-1-(4-methoxy-3-nitrophen…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 65447-49-6 , [65447-49-6]
| 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) | 2.14 | 1.72 | -18.11 | 0 | 5 | 0 | 72 | 274.07 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 94 - 96 | KeyOrganics |
| MP | 94-96° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0377112A1; EP0377112B1; US5061706 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
