| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 12 | No |
Popular Name: 3-Bromo-5-nitrobenzaldehyde 3-Bromo-5-nitrobenzaldehyde
Find On: PubMed — Wikipedia — Google
CAS Numbers: 35513-41-3 , 355134-13-3 , [355134-13-3]
| 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) | 2.42 | 5.53 | -7.41 | 0 | 4 | 0 | 63 | 230.017 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.55 | 2.79 | -14.75 | 0 | 4 | 0 | 50 | 154.169 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 101-106? | Alfa-Aesar |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| MP | 98-100° | Oakwood Chemical |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
