| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | No |
Popular Name: 3'-Nitroacetophenone 3'-Nitroacetophenone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 114915-56-9 , 121-89-1 , [121-89-1]
| 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) | 1.77 | 5.68 | -14.28 | 0 | 4 | 0 | 63 | 165.148 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 201 - 203 | Acros Organics |
| BP | 202 | TCI |
| Boiling_Point | 202? | Alfa-Aesar |
| Boiling_Point | 202° | Alfa-Aesar |
| MP | 76 - 78 | Enamine Building Blocks |
| Mp [°C] | 76 - 79 | Acros Organics |
| Melting_Point | 76-80? | Alfa-Aesar |
| Melting_Point | 76-80° | Alfa-Aesar |
| MP | 76...78 | Enamine Building Blocks |
| MP | 78 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
