| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | Yes |
Popular Name: 4-Bromobenzoylacetonitrile 4-Bromobenzoylacetonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 4592-94-3 , [4592-94-3]
| 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) | 1.73 | 6.06 | -14.61 | 0 | 2 | 0 | 41 | 224.057 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 161 - 163 | KeyOrganics |
| MP | 161-163° | Matrix Scientific |
| MP | 162°(dec.) | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 96% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
