| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 12 | Yes |
Popular Name: 5-(4-Fluorophenyl)isoxazole 5-(4-Fluorophenyl)isoxazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 138716-37-7 , [138716-37-7]
| 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) | 2.51 | 3.06 | -5.57 | 0 | 2 | 0 | 26 | 163.151 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 51-53° | Matrix Scientific |
| Melting_Point | 53-55? | Alfa-Aesar |
| Melting_Point | 53-55° | Alfa-Aesar |
| Purity | 95% | Fluorochem |
| Warnings | Irritant | Matrix Scientific |
| PUBCHEM_PATENT_ID | US5103015 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.