| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 11 | Yes |
Popular Name: 1-(3-Bromo-4-methylphenyl)ethanone 1-(3-Bromo-4-methylphenyl)ethanone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 40180-80-1 , 40180=80-1 , [40180-80-1]
| 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) | 3.02 | 6.07 | -7.85 | 0 | 1 | 0 | 17 | 213.074 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
