| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 12 | Yes |
Popular Name: 1-(4-Fluoro-phenyl)-butan-1-one 1-(4-Fluoro-phenyl)-butan-1-one
Find On: PubMed — Wikipedia — Google
CAS Numbers: 582-83-2 , [582-83-2]
| 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) | 3.06 | 2.6 | -5.99 | 0 | 1 | 0 | 17 | 166.195 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 102-105°/9mm | Matrix Scientific |
| Melting_Point | 35-38? | Alfa-Aesar |
| Melting_Point | 35-38° | Alfa-Aesar |
| MP | 38-40° | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | US4032639; US4089958; US4138567; US4182869; US4182872 | IBM Patent Data |
