| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 16 | Yes |
Popular Name: Ethyl 4-(4-bromophenyl)-4-oxobutyrate Ethyl 4-(4-bromophenyl)-4-oxobut…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 30913-87-2 , [30913-87-2]
4-(4-Bromo-phenyl)-4-oxo-butyric acid ethyl ester
| 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) | 2.74 | 8.08 | -6.24 | 0 | 3 | 0 | 43 | 285.137 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 58-60° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
