| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 11 | Yes |
Popular Name: 5-CHLOROISOBENZOFURAN-1(3H)-ONE 5-CHLOROISOBENZOFURAN-1(3H)-ONE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 28033-47-8 , 54109-03-4
| 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) | 2.21 | 1.3 | -7.84 | 0 | 2 | 0 | 26 | 168.579 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0911320A2; US6114325 | IBM Patent Data |
