| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 14 | No |
Popular Name: 1-(4-Nitrophenyl)propane-1,2-dione 1-(4-Nitrophenyl)propane-1,2-dione
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CAS Numbers: 6159-25-7 , [6159-25-7]
| 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) | 0.96 | 5.57 | -5.78 | 0 | 5 | 0 | 80 | 193.158 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 86-88° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95%+ | Fluorochem |
| Warnings | Irritant | Matrix Scientific |
