| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | No |
Popular Name: N-(2-chlorophenyl)-3-oxobutanamide N-(2-chlorophenyl)-3-oxobutanamide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 31844-92-5 , 93-70-9 , [93-70-9]
2'-Chloroacetoacetanilide, 98%
butanamide, N-(2-chlorophenyl)-3-oxo-
| 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) | 1.56 | 6.11 | -13.8 | 1 | 3 | 0 | 46 | 211.648 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 104-106? | Alfa-Aesar |
| Melting_Point | 104-106° | Alfa-Aesar |
| MP | 107 | TCI |
| melting_point | 108 - 110 | KeyOrganics |
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.