| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | No |
Popular Name: 4'-Chloroacetoacetanilide 4'-Chloroacetoacetanilide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 101-92-8 , 93-70-9 , [101-92-8]
101-92-8; 4'-Chloroacetoacetanilide; C14266; p-Chloroacetoacetanilide
2'-Chloroacetoacetanilide, 98%
4'-Chloroacetoacetanilide, 98%
N-(2-Chlorophenyl)-3-oxobutyramide
| 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) | 1.61 | 5.99 | -15.99 | 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 [°C] | 129 - 133 | Acros Organics |
| MP | 131 - 134 | Enamine Building Blocks |
| MP | 131...134 | Enamine Building Blocks |
| MP | 132 | TCI |
| melting_point | 133 - 135 | KeyOrganics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.