| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 15 | No |
Popular Name: 2-bromo-1-(3-methoxy-4-nitrophenyl)-1-ethanone 2-bromo-1-(3-methoxy-4-nitrophen…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 90725-63-6 , [90725-63-6]
| 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 | 6.52 | -13.54 | 0 | 5 | 0 | 72 | 274.07 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 98 - 100 | KeyOrganics |
| MP | 98-100° | Matrix Scientific |
| Purity | >90% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.