| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 15 | No |
Popular Name: ethyl 3-(4-fluorophenyl)-3-oxopropanoate ethyl 3-(4-fluorophenyl)-3-oxopr…
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CAS Numbers: 1999-00-4 , [1999-00-4]
3-(4'-Fluorophenyl)-3-oxopropanoic acid,ethyl ester
4-Fluorbenzoylessigsäure-ethylester
4-Fluorobenzoylacetic acid ethyl ester
Benzenepropanoic acid, 4-fluoro-beta-oxo-, ethyl ester
Ethyl (4-fluorobenzoyl)acetate
Ethyl (4-fluorobenzoyl)acetate, 95%
Ethyl (4-fluorobenzoyl)acetate, 98%
ethyl-3-(4-fluorophenyl)-3-oxopropanoate
| 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) | 1.82 | 7.71 | -13.1 | 0 | 3 | 0 | 43 | 210.204 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 117-120? | Alfa-Aesar |
| BP | 120 / 1 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.