| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 14 | No |
Popular Name: 3-bromo-4-oxo-4-phenylbutanoic acid 3-bromo-4-oxo-4-phenylbutanoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 53515-22-3 , [53515-22-3]
| 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) | 1.70 | 0.46 | -45.11 | 0 | 3 | -1 | 57 | 256.075 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 121 - 124 | KeyOrganics |
| MP | 121-124° | Matrix Scientific |
| MP | 128 - 130 | Enamine Building Blocks |
| MP | 128...130 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
