| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | No |
Popular Name: Methyl 3-(4-chlorophenyl)-3-oxopropanoate Methyl 3-(4-chlorophenyl)-3-oxop…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 22027-53-8 , 53101-00-1 , [22027-53-8]
3-(4-Chloro-phenyl)-3-oxo-propionic acid methyl
3-(4-Chloro-phenyl)-3-oxo-propionic acid methylester
benzenepropanoic acid, 4-chloro-beta-oxo-, methyl ester
| 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) | 1.96 | 7.25 | -12.87 | 0 | 3 | 0 | 43 | 212.632 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 100 - 106 (p=0.2 torr) | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| BP | 92-98°/0.3mm | Matrix Scientific |
| purity | 95 | Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| MP | ca 25° | Matrix Scientific |
| Warnings | Irritant | Matrix Scientific |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
